Molecule

ID:33451

General Information
Structure
Molecular Formula
C₅H₉ClN₄O₂
Molecular Mass
192.60356
Exact Mass
192.04140323
Charge
0
InChI
InChI=1S/C5H8N4O2.ClH/c1-7-4(10)5-8-3(2-6)9-11-5;/h2,6H2,1H3,(H,7,10);1H
InChIKey
BOGPKGQSWCJZBE-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)c1nc(no1)CN.Cl
Isomeric Smiles
c1(nc(no1)CN)C(=O)NC.Cl
Calculated Properties
JChem
Acid pKa
11.611906
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.8299866
LogD (pH = 7.4)
-1.3845849
Log P
-1.1962087
Molar Refractivity
38.1105
Polarizability
13.664517
Polar Surface Area
94.04
Rotatable Bonds
2
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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