Molecule

ID:17618

General Information
Structure
Molecular Formula
C₁₃H₁₂FNO
Molecular Mass
217.2388832
Exact Mass
217.09029223
Charge
0
InChI
InChI=1S/C13H12FNO/c1-9-7-11(8-16)10(2)15(9)13-6-4-3-5-12(13)14/h3-8H,1-2H3
InChIKey
AWMIXYYZKHFFFW-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(n(c1C)c1ccccc1F)C
Isomeric Smiles
n1(c2c(cccc2)F)c(c(cc1C)C=O)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1890914
LogD (pH = 7.4)
3.1890914
Log P
3.1890914
Molar Refractivity
72.9102
Polarizability
23.387594
Polar Surface Area
22.0
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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