Molecule

ID:51468

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClN₂
Molecular Mass
152.581
Exact Mass
152.01412585
Charge
0
InChI
InChI=1S/C7H5ClN2/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10)
InChIKey
FVNCILPDWNBPLK-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)cn[nH]2
Isomeric Smiles
n1[nH]c2c(c1)cc(cc2)Cl
Calculated Properties
JChem
Acid pKa
12.017468
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.9003333
LogD (pH = 7.4)
1.9003419
Log P
1.9003524
Molar Refractivity
40.8779
Polarizability
16.500286
Polar Surface Area
28.68
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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