Molecule

ID:41675

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇ClN₂O₃
Molecular Mass
250.63788
Exact Mass
250.01451977
Charge
0
InChI
InChI=1S/C11H7ClN2O3/c12-7-1-3-8(4-2-7)14-6-5-9(15)10(13-14)11(16)17/h1-6H,(H,16,17)
InChIKey
ALSMZXGESQGWEH-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)n1ccc(=O)c(n1)C(=O)O
Isomeric Smiles
n1c(c(=O)ccn1c1ccc(cc1)Cl)C(=O)O
Calculated Properties
JChem
Acid pKa
3.1201131
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.60088366
LogD (pH = 7.4)
-0.5056277
Log P
2.9528441
Molar Refractivity
72.0476
Polarizability
22.983337
Polar Surface Area
69.97
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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