Molecule

ID:40639

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅ClO₃
Molecular Mass
208.5979
Exact Mass
207.9927217
Charge
0
InChI
InChI=1S/C10H5ClO3/c11-9-6-3-1-2-4-8(6)14-10(13)7(9)5-12/h1-5H
InChIKey
CLLLQUGVEQADNN-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(=O)oc2c(c1Cl)cccc2
Isomeric Smiles
c1(c(c2c(oc1=O)cccc2)Cl)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3660495
LogD (pH = 7.4)
1.3660495
Log P
1.3660495
Molar Refractivity
51.4137
Polarizability
19.504137
Polar Surface Area
43.37
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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