Molecule

ID:75714

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉ClN₂O₂
Molecular Mass
272.68646
Exact Mass
272.03525522
Charge
0
InChI
InChI=1S/C14H9ClN2O2/c15-10-2-4-14-16-11(7-17(14)6-10)9-1-3-12-13(5-9)19-8-18-12/h1-7H,8H2
InChIKey
AWNGFBUYGOWSNY-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2n(c1)cc(n2)c1ccc2c(c1)OCO2
Isomeric Smiles
n12c(nc(c1)c1ccc3c(c1)OCO3)ccc(c2)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.6728747
LogD (pH = 7.4)
3.01302
Log P
3.0199032
Molar Refractivity
71.2723
Polarizability
28.566727
Polar Surface Area
35.76
Rotatable Bonds
1
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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