Molecule

ID:40501

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈ClFO₂
Molecular Mass
250.6528232
Exact Mass
250.0196854
Charge
0
InChI
InChI=1S/C13H8ClFO2/c14-11-6-5-10(7-12(11)15)17-13-4-2-1-3-9(13)8-16/h1-8H
InChIKey
WUTZVNSXFOPKSN-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1Oc1ccc(c(c1)F)Cl
Isomeric Smiles
c1(cc(Oc2c(C=O)cccc2)ccc1Cl)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.932782
LogD (pH = 7.4)
3.932782
Log P
3.932782
Molar Refractivity
63.904
Polarizability
24.136717
Polar Surface Area
26.3
Rotatable Bonds
3
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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