Molecule

ID:68328

General Information
Structure
MolImage
Molecular Formula
C₆H₇ClN₂
Molecular Mass
142.58618
Exact Mass
142.02977591
Charge
0
InChI
InChI=1S/C6H7ClN2/c1-4-2-3-5(8)9-6(4)7/h2-3H,1H3,(H2,8,9)
InChIKey
KPZRCZMNXPBHEH-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(n1)Cl)C
Isomeric Smiles
c1(ccc(c(n1)Cl)C)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8560282
LogD (pH = 7.4)
1.8587139
Log P
1.8587482
Molar Refractivity
39.8223
Polarizability
14.275812
Polar Surface Area
38.91
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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