Molecule

ID:95079

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇FO
Molecular Mass
174.1710832
Exact Mass
174.04809306
Charge
0
InChI
InChI=1S/C11H7FO/c12-11-6-2-4-9-8(7-13)3-1-5-10(9)11/h1-7H
InChIKey
JJFWJEXWKQDOJL-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc2c1cccc2F
Isomeric Smiles
Fc1c2cccc(c2ccc1)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.817927
LogD (pH = 7.4)
2.817927
Log P
2.817927
Molar Refractivity
49.3086
Polarizability
19.386225
Polar Surface Area
17.07
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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