Molecule

ID:78329

General Information
Structure
MolImage
Molecular Formula
C₄H₇ClN₄O
Molecular Mass
162.57758
Exact Mass
162.03083854
Charge
0
InChI
InChI=1S/C4H6N4O.ClH/c5-3-2(4(6)9)7-1-8-3;/h1H,5H2,(H2,6,9)(H,7,8);1H
InChIKey
MXCUYSMIELHIQL-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1nc[nH]c1N.Cl
Isomeric Smiles
[nH]1c(c(C(=O)N)nc1)N.Cl
Calculated Properties
JChem
Acid pKa
12.742147
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-1.1360245
LogD (pH = 7.4)
-0.96191853
Log P
-0.9590512
Molar Refractivity
32.9826
Polarizability
11.236273
Polar Surface Area
97.79
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
References
Bioactivity
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