Molecule

ID:90002

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆ClNO₂
Molecular Mass
207.61314
Exact Mass
207.00870612
Charge
0
InChI
InChI=1S/C10H6ClNO2/c11-9-7(10(13)14)5-6-3-1-2-4-8(6)12-9/h1-5H,(H,13,14)
InChIKey
XFSORZYTTCOBFN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc2ccccc2nc1Cl
Isomeric Smiles
n1c(c(cc2ccccc12)C(=O)O)Cl
Calculated Properties
JChem
Acid pKa
3.630945
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.74712336
LogD (pH = 7.4)
-0.7193154
Log P
2.6127052
Molar Refractivity
53.1016
Polarizability
21.218857
Polar Surface Area
50.19
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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