Molecule

ID:65897

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃ClN₄O₃
Molecular Mass
308.72032
Exact Mass
308.06761798
Charge
0
InChI
InChI=1S/C13H13ClN4O3/c1-20-12(19)9-3-2-8-10(15-9)16-13(14)17-11(8)18-4-6-21-7-5-18/h2-3H,4-7H2,1H3
InChIKey
YUFPNTVTPKNZLN-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc2c(n1)nc(nc2N1CCOCC1)Cl
Isomeric Smiles
c1c(nc2c(c1)c(nc(n2)Cl)N1CCOCC1)C(=O)OC
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
2.114273
LogD (pH = 7.4)
2.1142733
Log P
2.1142733
Molar Refractivity
79.1849
Polarizability
29.485023
Polar Surface Area
77.44
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
No Data Available
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Molecule Details
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References
Bioactivity
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