Molecule

ID:31407

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄FNO
Molecular Mass
231.2654632
Exact Mass
231.10594229
Charge
0
InChI
InChI=1S/C14H14FNO/c1-10-7-13(9-17)11(2)16(10)8-12-3-5-14(15)6-4-12/h3-7,9H,8H2,1-2H3
InChIKey
TWMFIBALASRYRW-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(n(c1C)Cc1ccc(cc1)F)C
Isomeric Smiles
n1(c(c(cc1C)C=O)C)Cc1ccc(F)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.255606
LogD (pH = 7.4)
3.255606
Log P
3.255606
Molar Refractivity
67.4259
Polarizability
24.468822
Polar Surface Area
22.0
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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