Molecule

ID:87175

General Information
Structure
MolImage
Molecular Formula
C₇H₉ClN₂
Molecular Mass
156.61276
Exact Mass
156.04542598
Charge
0
InChI
InChI=1S/C7H8N2.ClH/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H3,8,9);1H
InChIKey
LZCZIHQBSCVGRD-UHFFFAOYSA-N
Canonic Smiles
NC(=N)c1ccccc1.Cl
Isomeric Smiles
NC(=N)c1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.5216389
LogD (pH = 7.4)
-1.513437
Log P
0.8937143
Molar Refractivity
47.7305
Polarizability
14.029147
Polar Surface Area
49.87
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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