Molecule

ID:60783

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉ClN₂O₂
Molecular Mass
272.68646
Exact Mass
272.03525522
Charge
0
InChI
InChI=1S/C14H9ClN2O2/c15-9-4-3-5-10(8-9)17-13(18)11-6-1-2-7-12(11)16-14(17)19/h1-8H,(H,16,19)
InChIKey
MIOWCSICDLCGIE-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)n1c(=O)[nH]c2c(c1=O)cccc2
Isomeric Smiles
n1(c(=O)[nH]c2c(c1=O)cccc2)c1cc(Cl)ccc1
Calculated Properties
JChem
Acid pKa
10.404582
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.2326217
LogD (pH = 7.4)
3.2322187
Log P
3.2326267
Molar Refractivity
73.2552
Polarizability
27.127304
Polar Surface Area
49.41
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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