Molecule

ID:77605

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉ClN₂
Molecular Mass
192.64486
Exact Mass
192.04542598
Charge
0
InChI
InChI=1S/C10H9ClN2/c1-7-6-12-13-10(7)8-2-4-9(11)5-3-8/h2-6H,1H3,(H,12,13)
InChIKey
BYONPYLIDBGTDF-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)c1n[nH]cc1C
Isomeric Smiles
n1c(c2ccc(cc2)Cl)c(c[nH]1)C
Calculated Properties
JChem
Acid pKa
16.137539
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.4277956
LogD (pH = 7.4)
3.4279695
Log P
3.4279716
Molar Refractivity
54.3556
Polarizability
21.720465
Polar Surface Area
28.68
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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