Molecule

ID:90584

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClN₂
Molecular Mass
152.581
Exact Mass
152.01412585
Charge
0
InChI
InChI=1S/C7H5ClN2/c1-5-2-7(8)10-4-6(5)3-9/h2,4H,1H3
InChIKey
DWLWCFHFMYBZKE-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(Cl)ncc1C#N
Isomeric Smiles
n1cc(c(cc1Cl)C)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9493128
LogD (pH = 7.4)
1.9493128
Log P
1.9493128
Molar Refractivity
40.53
Polarizability
14.972798
Polar Surface Area
36.68
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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