Molecule

ID:118459

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅ClO₃
Molecular Mass
208.5979
Exact Mass
207.9927217
Charge
0
InChI
InChI=1S/C10H5ClO3/c11-10(13)9-5-7(12)6-3-1-2-4-8(6)14-9/h1-5H
InChIKey
FAEHWELEABAGRQ-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cc(=O)c2c(o1)cccc2
Isomeric Smiles
c1(cc(=O)c2c(o1)cccc2)C(=O)Cl
Calculated Properties
JChem
Acid pKa
11.072887
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.8304361
LogD (pH = 7.4)
1.8303857
Log P
1.8304367
Molar Refractivity
52.4519
Polarizability
19.44995
Polar Surface Area
43.37
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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