Molecule

ID:28672

General Information
Structure
MolImage
Molecular Formula
C₅H₈ClN₃
Molecular Mass
145.59012
Exact Mass
145.04067495
Charge
0
InChI
InChI=1S/C5H7N3.ClH/c6-3-5-1-2-7-4-8-5;/h1-2,4H,3,6H2;1H
InChIKey
IHYUPLGHQKJENA-UHFFFAOYSA-N
Canonic Smiles
NCc1ccncn1.Cl
Isomeric Smiles
c1nc(ccn1)CN.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.3955812
LogD (pH = 7.4)
-1.7673115
Log P
-0.74302423
Molar Refractivity
30.6735
Polarizability
11.900802
Polar Surface Area
51.8
Rotatable Bonds
1
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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