Molecule

ID:86919

General Information
Structure
MolImage
Molecular Formula
C₇H₈ClN
Molecular Mass
141.59812
Exact Mass
141.03452694
Charge
0
InChI
InChI=1S/C7H8ClN/c1-9-7-5-3-2-4-6(7)8/h2-5,9H,1H3
InChIKey
WGNNILPYHCKCFF-UHFFFAOYSA-N
Canonic Smiles
CNc1ccccc1Cl
Isomeric Smiles
N(c1ccccc1Cl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.0456507
LogD (pH = 7.4)
2.0500128
Log P
2.0500686
Molar Refractivity
41.0566
Polarizability
15.172388
Polar Surface Area
12.03
Rotatable Bonds
1
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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