Molecule

ID:87638

General Information
Structure
MolImage
Molecular Formula
C₄H₆ClN₃
Molecular Mass
131.56354
Exact Mass
131.02502489
Charge
0
InChI
InChI=1S/C4H5N3.ClH/c5-4-1-2-6-3-7-4;/h1-3H,(H2,5,6,7);1H
InChIKey
XXHGDLJQCZLECB-UHFFFAOYSA-N
Canonic Smiles
Nc1ccncn1.Cl
Isomeric Smiles
n1cnc(cc1)N.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.47133988
LogD (pH = 7.4)
-0.18997876
Log P
-0.18473297
Molar Refractivity
27.7362
Polarizability
9.681904
Polar Surface Area
51.8
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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