Molecule

ID:55739

General Information
Structure
MolImage
Molecular Formula
C₅H₉ClN₄O₂
Molecular Mass
192.60356
Exact Mass
192.04140323
Charge
0
InChI
InChI=1S/C5H8N4O2.ClH/c1-11-4(10)2-3-7-5(6)9-8-3;/h2H2,1H3,(H3,6,7,8,9);1H
InChIKey
BQMZIQANWPKELV-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cc1nc(n[nH]1)N.Cl
Isomeric Smiles
n1c(n[nH]c1CC(=O)OC)N.Cl
Calculated Properties
JChem
Acid pKa
7.403484
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.050332323
LogD (pH = 7.4)
-0.31270766
Log P
-0.024983138
Molar Refractivity
38.8308
Polarizability
13.830656
Polar Surface Area
93.89
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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