Molecule

ID:87030

General Information
Structure
MolImage
Molecular Formula
C₇H₉ClN₂
Molecular Mass
156.61276
Exact Mass
156.04542598
Charge
0
InChI
InChI=1S/C7H9ClN2/c1-4-2-6(9)7(10)3-5(4)8/h2-3H,9-10H2,1H3
InChIKey
HOFKXNBVTNUDSH-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(N)c(cc1C)N
Isomeric Smiles
Nc1cc(c(cc1N)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.4201956
LogD (pH = 7.4)
1.4326982
Log P
1.43286
Molar Refractivity
45.3048
Polarizability
16.229223
Polar Surface Area
52.04
Rotatable Bonds
0
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
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References
Bioactivity
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