Molecule

ID:92388

General Information
Structure
MolImage
Molecular Formula
C₆H₈ClN
Molecular Mass
129.58742
Exact Mass
129.03452694
Charge
0
InChI
InChI=1S/C6H7N.ClH/c7-6-4-2-1-3-5-6;/h1-5H,7H2;1H
InChIKey
MMCPOSDMTGQNKG-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1.Cl
Isomeric Smiles
Nc1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.0882844
LogD (pH = 7.4)
1.143567
Log P
1.1443199
Molar Refractivity
30.7584
Polarizability
11.497764
Polar Surface Area
26.02
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
No Data Available
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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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