Molecule

ID:79567

General Information
Structure
Molecular Formula
C₁₄H₉ClN₂O₂
Molecular Mass
272.68646
Exact Mass
272.03525522
Charge
0
InChI
InChI=1S/C14H9ClN2O2/c15-9-5-7-10(8-6-9)17-12-4-2-1-3-11(12)16-13(18)14(17)19/h1-8H,(H,16,18)
InChIKey
UKPYVXFBLXMUAO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)n1c(=O)c(O)nc2c1cccc2
Isomeric Smiles
n1(c2ccc(cc2)Cl)c(=O)c(nc2ccccc12)O
Calculated Properties
JChem
Acid pKa
3.207044
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.98688436
LogD (pH = 7.4)
-0.18663146
Log P
3.2575655
Molar Refractivity
73.3886
Polarizability
27.085146
Polar Surface Area
52.9
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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