Molecule

ID:31475

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄FNO
Molecular Mass
207.2440632
Exact Mass
207.10594229
Charge
0
InChI
InChI=1S/C12H14FNO/c13-12-8-11(5-4-10(12)9-15)14-6-2-1-3-7-14/h4-5,8-9H,1-3,6-7H2
InChIKey
FWOVDUNJKQSSNE-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1F)N1CCCCC1
Isomeric Smiles
N1(c2cc(c(cc2)C=O)F)CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7865653
LogD (pH = 7.4)
2.7868564
Log P
2.78686
Molar Refractivity
59.429
Polarizability
21.505123
Polar Surface Area
20.31
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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