Molecule

ID:96949

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄FNO
Molecular Mass
207.2440632
Exact Mass
207.10594229
Charge
0
InChI
InChI=1S/C12H14FNO/c13-11-6-4-10(5-7-11)12(15)14-8-2-1-3-9-14/h4-7H,1-3,8-9H2
InChIKey
UVBXLMBIXAPNBB-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)F)N1CCCCC1
Isomeric Smiles
Fc1ccc(cc1)C(=O)N1CCCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.264305
LogD (pH = 7.4)
2.2643063
Log P
2.2643063
Molar Refractivity
57.2882
Polarizability
21.307583
Polar Surface Area
20.31
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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