Molecule

ID:33403

General Information
Structure
MolImage
Molecular Formula
C₇H₃Cl₂NO
Molecular Mass
188.01082
Exact Mass
186.95916908
Charge
0
InChI
InChI=1S/C7H3Cl2NO/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H
InChIKey
JOXBFDPBVQGJOJ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)nc(o2)Cl
Isomeric Smiles
n1c(oc2c1cc(cc2)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8379245
LogD (pH = 7.4)
2.8379245
Log P
2.8379245
Molar Refractivity
42.5538
Polarizability
17.74789
Polar Surface Area
26.03
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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