Molecule

ID:111965

General Information
Structure
MolImage
Molecular Formula
C₆H₇ClN₂
Molecular Mass
142.58618
Exact Mass
142.02977591
Charge
0
InChI
InChI=1S/C6H7ClN2/c7-5-2-1-4(8)3-6(5)9/h1-3H,8-9H2
InChIKey
ZWUBBMDHSZDNTA-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)N)Cl
Isomeric Smiles
Nc1ccc(Cl)c(N)c1
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.90225947
LogD (pH = 7.4)
0.919218
Log P
0.9194386
Molar Refractivity
40.2636
Polarizability
14.471481
Polar Surface Area
52.04
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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