Mrv0541 06191311022D          

 15 16  0  0  0  0            999 V2000
    9.8506   -3.6996    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.9927   -3.6996    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.2223   -1.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4218   -2.8747    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8898   -2.7977    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0294   -1.4703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4419   -2.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1361   -2.4622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4218   -3.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1361   -4.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7072   -4.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1361   -4.9371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7072   -4.9371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4218   -5.3496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4218   -6.1745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  7  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM022591

> <DATABASE_NAME>
chemdb

> <SMILES>
OC1=CC(Cl)=C(NC2=NCCN2)C(Cl)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C9H9Cl2N3O/c10-6-3-5(15)4-7(11)8(6)14-9-12-1-2-13-9/h3-4,15H,1-2H2,(H2,12,13,14)

> <INCHI_KEY>
NTWBRPXHGAXREI-UHFFFAOYSA-N

> <FORMULA>
C9H9Cl2N3O

> <MOLECULAR_WEIGHT>
246.093

> <EXACT_MASS>
245.012267339

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
22.73050849307276

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3,5-dichloro-4-[(4,5-dihydro-1H-imidazol-2-yl)amino]phenol

> <ALOGPS_LOGP>
2.10

> <JCHEM_LOGP>
1.784589795672351

> <ALOGPS_LOGS>
-2.60

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.67300568457728

> <JCHEM_PKA_STRONGEST_BASIC>
7.908110910641073

> <JCHEM_POLAR_SURFACE_AREA>
56.650000000000006

> <JCHEM_REFRACTIVITY>
61.069700000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.21e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,5-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)phenol

> <JCHEM_VEBER_RULE>
0

> <NAME>
4-Hydroxyclonidine

$$$$