Molecule

ID:86009

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₃ClN₂O₃
Molecular Mass
352.77112
Exact Mass
352.06146997
Charge
0
InChI
InChI=1S/C19H13ClN2O3/c20-18-17(10-5-11-21-18)19(23)25-22-13-14-6-4-9-16(12-14)24-15-7-2-1-3-8-15/h1-13H
InChIKey
QPRXAIJSFUSEAK-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cccnc1Cl)O/N=C/c1cccc(c1)Oc1ccccc1
Isomeric Smiles
N(=C\c1cc(ccc1)Oc1ccccc1)/OC(=O)c1c(nccc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.9991193
LogD (pH = 7.4)
4.9991317
Log P
4.999132
Molar Refractivity
96.2357
Polarizability
36.44179
Polar Surface Area
60.78
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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