Mrv1652305081817402D          

 19 19  0  0  0  0            999 V2000
 9998.4189 9999.0040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.1330 9998.5910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.8487 9999.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.5624 9998.5910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.2781 9999.0040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10001.9939 9998.5910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.7076 9999.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.9939 9997.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.8487 9999.8291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.9919 9999.8291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.277410000.2416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.5629 9999.8291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.848410000.2416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.7050 9998.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.9906 9999.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.2761 9998.5910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.2761 9997.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.9904 9997.3538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.7050 9997.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 15 10  1  0  0  0  0
  1 14  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM022314

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(C)NCC(O)COC1=C(OCC=C)C=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C15H23NO3/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3/h4-8,12-13,16-17H,1,9-11H2,2-3H3

> <INCHI_KEY>
CEMAWMOMDPGJMB-UHFFFAOYSA-N

> <FORMULA>
C15H23NO3

> <MOLECULAR_WEIGHT>
265.348

> <EXACT_MASS>
265.167793607

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
30.31071170024805

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-[2-(prop-2-en-1-yloxy)phenoxy]-3-[(propan-2-yl)amino]propan-2-ol

> <ALOGPS_LOGP>
2.44

> <JCHEM_LOGP>
2.1677977303333336

> <ALOGPS_LOGS>
-2.59

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.087789908095793

> <JCHEM_PKA_STRONGEST_BASIC>
9.66616570398442

> <JCHEM_POLAR_SURFACE_AREA>
50.72

> <JCHEM_REFRACTIVITY>
76.00140000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.80e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
oxprenolol

> <JCHEM_VEBER_RULE>
0

> <NAME>
Oxprenolol

> <CAS>
6452-71-7

> <SYNONYMS>
oxprenol

$$$$