Molecule

ID:60280

General Information
Structure
MolImage
Molecular Formula
C₃H₃ClN₄O₂
Molecular Mass
162.53452
Exact Mass
161.99445304
Charge
0
InChI
InChI=1S/C3H3ClN4O2/c4-3-5-1(6-7-3)2(9)8-10/h10H,(H,8,9)(H,5,6,7)
InChIKey
FUHUDBAMAQACLV-UHFFFAOYSA-N
Canonic Smiles
ONC(=O)c1nc(n[nH]1)Cl
Isomeric Smiles
c1(nc(n[nH]1)Cl)C(=O)NO
Calculated Properties
JChem
Acid pKa
4.535597
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-1.0027292
LogD (pH = 7.4)
-1.6586217
Log P
-0.093204565
Molar Refractivity
34.4493
Polarizability
12.093822
Polar Surface Area
90.9
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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