Molecule

ID:63124

General Information
Structure
MolImage
Molecular Formula
C₇H₉ClN₂
Molecular Mass
156.61276
Exact Mass
156.04542598
Charge
0
InChI
InChI=1S/C7H9ClN2/c8-7-3-1-6(2-4-7)5-10-9/h1-4,10H,5,9H2
InChIKey
OEMUGKBHGOCMKZ-UHFFFAOYSA-N
Canonic Smiles
NNCc1ccc(cc1)Cl
Isomeric Smiles
N(N)Cc1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.3209072
LogD (pH = 7.4)
1.5153067
Log P
1.5184035
Molar Refractivity
54.3131
Polarizability
16.87745
Polar Surface Area
38.05
Rotatable Bonds
2
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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