Mrv1572004191602192D          

 25 28  0  0  0  0            999 V2000
   -1.5395    3.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0145    1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539    3.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    3.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539   -0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6020    0.7441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6020    2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539    2.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    2.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539    0.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7770    0.7441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7770    2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020    0.7441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020    2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    0.7441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395    2.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395    0.6336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3645    1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395    1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.4586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9355    1.4586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  9  3  1  0  0  0  0
 10  4  1  0  0  0  0
 11  5  2  0  0  0  0
 12  6  1  0  0  0  0
 13  7  2  0  0  0  0
 14  8  1  0  0  0  0
 15  9  2  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
 20 10  2  0  0  0  0
 20 11  1  0  0  0  0
 21 12  2  0  0  0  0
 21 13  1  0  0  0  0
 22 14  2  0  0  0  0
 22 15  1  0  0  0  0
 23 20  1  0  0  0  0
 23 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 16  1  0  0  0  0
 24 17  1  0  0  0  0
 24 23  1  0  0  0  0
 25 18  1  0  0  0  0
 25 19  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM008281

> <DATABASE_NAME>
chemdb

> <SMILES>
C1CN(CCO1)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C23H23NO/c1-4-10-20(11-5-1)23(21-12-6-2-7-13-21,22-14-8-3-9-15-22)24-16-18-25-19-17-24/h1-15H,16-19H2

> <INCHI_KEY>
ZJMLMBICUVVJDX-UHFFFAOYSA-N

> <FORMULA>
C23H23NO

> <MOLECULAR_WEIGHT>
329.443

> <EXACT_MASS>
329.177964365

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
48

> <JCHEM_AVERAGE_POLARIZABILITY>
37.245737777729495

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4-(triphenylmethyl)morpholine

> <ALOGPS_LOGP>
4.75

> <JCHEM_LOGP>
5.128624149666666

> <ALOGPS_LOGS>
-5.35

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
6.929410926135626

> <JCHEM_POLAR_SURFACE_AREA>
12.47

> <JCHEM_REFRACTIVITY>
104.1128

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.48e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
trifenmorph

> <JCHEM_VEBER_RULE>
1

> <NAME>
Trifenmorph

> <CAS>
1420-06-0

> <SYNONYMS>
4-Trityl-Morpholin

$$$$