Molecule

ID:17397

General Information
Structure
Molecular Formula
C₁₁H₇FO₂
Molecular Mass
190.1704832
Exact Mass
190.04300768
Charge
0
InChI
InChI=1S/C11H7FO2/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-7H
InChIKey
CKQKBILGSICMPT-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(o1)c1ccc(cc1)F
Isomeric Smiles
c1(c2ccc(cc2)F)oc(cc1)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4559233
LogD (pH = 7.4)
2.4559233
Log P
2.4559233
Molar Refractivity
50.263
Polarizability
19.695168
Polar Surface Area
30.21
Rotatable Bonds
2
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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