Molecule

ID:90471

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClN₂
Molecular Mass
152.581
Exact Mass
152.01412585
Charge
0
InChI
InChI=1S/C7H5ClN2/c1-5-2-6(8)4-10-7(5)3-9/h2,4H,1H3
InChIKey
WUVNWFZJNYBPIJ-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ncc(cc1C)Cl
Isomeric Smiles
n1c(c(cc(c1)Cl)C)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1149855
LogD (pH = 7.4)
2.114986
Log P
2.114986
Molar Refractivity
39.0967
Polarizability
14.932438
Polar Surface Area
36.68
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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