Molecule

ID:61833

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClN₂
Molecular Mass
190.62898
Exact Mass
190.02977591
Charge
0
InChI
InChI=1S/C10H7ClN2/c11-10-7-12-9(6-13-10)8-4-2-1-3-5-8/h1-7H
InChIKey
IKWXPYFPNVAWJY-UHFFFAOYSA-N
Canonic Smiles
Clc1cnc(cn1)c1ccccc1
Isomeric Smiles
c1(cnc(cn1)c1ccccc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3951983
LogD (pH = 7.4)
2.3951986
Log P
2.3951986
Molar Refractivity
52.3745
Polarizability
21.441685
Polar Surface Area
25.78
Rotatable Bonds
1
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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