Molecule

ID:17173

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆ClNO₂
Molecular Mass
207.61314
Exact Mass
207.00870612
Charge
0
InChI
InChI=1S/C10H6ClNO2/c11-6-1-2-9-8(5-6)7(10(13)14)3-4-12-9/h1-5H,(H,13,14)
InChIKey
ZRYMLJGLNAOPNK-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)c(ccn2)C(=O)O
Isomeric Smiles
c12c(ccc(c2)Cl)nccc1C(=O)O
Calculated Properties
JChem
Acid pKa
3.568958
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.46212062
LogD (pH = 7.4)
-0.96283454
Log P
2.392528
Molar Refractivity
52.0403
Polarizability
21.13843
Polar Surface Area
50.19
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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