Molecule
ID:77138
General Information
Molecular Formula
C₃H₆ClN₃O₂
Molecular Mass
151.55164
Exact Mass
151.01485413
Charge
0
InChI
InChI=1S/C3H5N3O2.ClH/c4-6-1-2(7)5-3(6)8;/h1,4H2,(H,5,7,8);1H
InChIKey
WEOHANUVLKERQI-UHFFFAOYSA-N
Canonic Smiles
O=C1CN(C(=O)N1)N.Cl
Isomeric Smiles
N1C(=O)CN(C1=O)N.Cl
Calculated Properties
JChem
Acid pKa
9.418758
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.7520021
LogD (pH = 7.4)
-1.7508557
Log P
-1.7466961
Molar Refractivity
25.5302
Polarizability
9.555252
Polar Surface Area
75.43
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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