Molecule

ID:90071

General Information
Structure
MolImage
Molecular Formula
C₅H₄ClN
Molecular Mass
113.54496
Exact Mass
113.00322681
Charge
0
InChI
InChI=1S/C5H4ClN/c6-5-2-1-3-7-4-5/h1-4H
InChIKey
PWRBCZZQRRPXAB-UHFFFAOYSA-N
Canonic Smiles
Clc1cccnc1
Isomeric Smiles
n1cc(ccc1)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.357117
LogD (pH = 7.4)
1.3595865
Log P
1.3596181
Molar Refractivity
28.7059
Polarizability
11.315393
Polar Surface Area
12.89
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
No Data Available
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Molecule Details
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References
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Bioactivity
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