Molecule

ID:37015

General Information
Structure
MolImage
Molecular Formula
C₅H₄ClN₅O₂
Molecular Mass
201.57056
Exact Mass
201.00535207
Charge
0
InChI
InChI=1S/C5H4ClN5O2/c6-1-2-8-5(11-12-2)3-4(7)10-13-9-3/h1H2,(H2,7,10)
InChIKey
XRPDCSUQZLEUCV-UHFFFAOYSA-N
Canonic Smiles
ClCc1onc(n1)c1nonc1N
Isomeric Smiles
o1c(nc(n1)c1c(non1)N)CCl
Calculated Properties
JChem
Acid pKa
13.466355
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.9133808
LogD (pH = 7.4)
0.91338044
Log P
0.9133808
Molar Refractivity
56.2916
Polarizability
16.000708
Polar Surface Area
103.86
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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