Molecule

ID:64363

General Information
Structure
MolImage
Molecular Formula
C₄H₅ClN₂
Molecular Mass
116.5489
Exact Mass
116.01412585
Charge
0
InChI
InChI=1S/C4H5ClN2/c1-7-3-2-6-4(7)5/h2-3H,1H3
InChIKey
VSCQFRRKWFQPOA-UHFFFAOYSA-N
Canonic Smiles
Cn1ccnc1Cl
Isomeric Smiles
n1(ccnc1Cl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.9685206
LogD (pH = 7.4)
0.9921548
Log P
0.9924662
Molar Refractivity
28.9354
Polarizability
10.898433
Polar Surface Area
17.82
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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