Molecule

ID:62560

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄FNO
Molecular Mass
207.2440632
Exact Mass
207.10594229
Charge
0
InChI
InChI=1S/C12H14FNO/c1-9-6-12(14-4-2-3-5-14)11(13)7-10(9)8-15/h6-8H,2-5H2,1H3
InChIKey
JXZONLCMWVRBJT-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(F)c(cc1C)N1CCCC1
Isomeric Smiles
c1(N2CCCC2)cc(c(cc1F)C=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8557117
LogD (pH = 7.4)
2.855713
Log P
2.855713
Molar Refractivity
59.8692
Polarizability
21.43053
Polar Surface Area
20.31
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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