Molecule

ID:89361

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉ClN₂O₂
Molecular Mass
272.68646
Exact Mass
272.03525522
Charge
0
InChI
InChI=1S/C14H9ClN2O2/c15-10-6-7-11-16-12(9-4-2-1-3-5-9)13(14(18)19)17(11)8-10/h1-8H,(H,18,19)
InChIKey
PGZSRCHPKMUCOV-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2n(c1)c(C(=O)O)c(n2)c1ccccc1
Isomeric Smiles
n12c(nc(c1C(=O)O)c1ccccc1)ccc(c2)Cl
Calculated Properties
JChem
Acid pKa
2.6344335
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.0028878
LogD (pH = 7.4)
-0.38706467
Log P
2.0413895
Molar Refractivity
72.6391
Polarizability
28.44576
Polar Surface Area
54.6
Rotatable Bonds
2
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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