Molecule

ID:67175

General Information
Structure
MolImage
Molecular Formula
C₉H₇ClN₂
Molecular Mass
178.61828
Exact Mass
178.02977591
Charge
0
InChI
InChI=1S/C9H7ClN2/c10-9-8(11)7-4-2-1-3-6(7)5-12-9/h1-5H,11H2
InChIKey
IRWRZLORRDTXHM-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc2c(c1N)cccc2
Isomeric Smiles
c1nc(c(c2ccccc12)N)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.740309
LogD (pH = 7.4)
1.7403456
Log P
1.7403461
Molar Refractivity
50.9178
Polarizability
20.011477
Polar Surface Area
38.91
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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