Molecule

ID:30786

General Information
Structure
Molecular Formula
C₁₃H₁₆FNO₂
Molecular Mass
237.2700432
Exact Mass
237.11650698
Charge
0
InChI
InChI=1S/C13H16FNO2/c14-11-6-4-10(5-7-11)9-15-8-2-1-3-12(15)13(16)17/h4-7,12H,1-3,8-9H2,(H,16,17)
InChIKey
WRCCKEVVICUODU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCCCN1Cc1ccc(cc1)F
Isomeric Smiles
N1(C(C(=O)O)CCCC1)Cc1ccc(F)cc1
Calculated Properties
JChem
Acid pKa
1.484853
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.13090354
LogD (pH = 7.4)
-0.13802625
Log P
-0.1309158
Molar Refractivity
62.789
Polarizability
24.204716
Polar Surface Area
40.54
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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