Molecule

ID:81840

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉ClO₃
Molecular Mass
236.65106
Exact Mass
236.02402183
Charge
0
InChI
InChI=1S/C12H9ClO3/c13-8-15-12(14)16-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2
InChIKey
BXTXTJCMWUKOIL-UHFFFAOYSA-N
Canonic Smiles
ClCOC(=O)Oc1ccc2c(c1)cccc2
Isomeric Smiles
O(C(=O)Oc1ccc2ccccc2c1)CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8030317
LogD (pH = 7.4)
3.8030317
Log P
3.8030317
Molar Refractivity
59.9036
Polarizability
24.768057
Polar Surface Area
35.53
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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