Molecule

ID:71959

General Information
Structure
MolImage
Molecular Formula
C₅H₆ClN₃
Molecular Mass
143.57424
Exact Mass
143.02502489
Charge
0
InChI
InChI=1S/C5H6ClN3/c6-5-2-1-4(9-7)3-8-5/h1-3,9H,7H2
InChIKey
XHEJLXPUJJYRBJ-UHFFFAOYSA-N
Canonic Smiles
NNc1ccc(nc1)Cl
Isomeric Smiles
c1(cnc(cc1)Cl)NN
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.85950804
LogD (pH = 7.4)
0.96983314
Log P
0.9714379
Molar Refractivity
39.4739
Polarizability
13.937516
Polar Surface Area
50.94
Rotatable Bonds
1
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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