Molecule

ID:43300

General Information
Structure
Molecular Formula
C₇H₅ClN₂
Molecular Mass
152.581
Exact Mass
152.01412585
Charge
0
InChI
InChI=1S/C7H5ClN2/c1-2-5-3-6(8)4-10-7(5)9/h1,3-4H,(H2,9,10)
InChIKey
MJENWHNACWVDES-UHFFFAOYSA-N
Canonic Smiles
C#Cc1cc(Cl)cnc1N
Isomeric Smiles
n1c(c(C#C)cc(c1)Cl)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2646341
LogD (pH = 7.4)
1.27584
Log P
1.2759849
Molar Refractivity
38.8921
Polarizability
15.032653
Polar Surface Area
38.91
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
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Molecule Details
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References
Bioactivity
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