Molecule

ID:98486

General Information
Structure
Molecular Formula
C₁₁H₇FO
Molecular Mass
174.1710832
Exact Mass
174.04809306
Charge
0
InChI
InChI=1S/C11H7FO/c12-11-9(7-13)6-5-8-3-1-2-4-10(8)11/h1-7H
InChIKey
YPWUQMKWNNQMDX-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc2c(c1F)cccc2
Isomeric Smiles
Fc1c(ccc2ccccc12)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
19.385082
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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