Molecule

ID:94633

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄FNO₂
Molecular Mass
259.2755632
Exact Mass
259.10085691
Charge
0
InChI
InChI=1S/C15H14FNO2/c16-13-8-6-12(7-9-13)14(15(18)19)17-10-11-4-2-1-3-5-11/h1-9,14,17H,10H2,(H,18,19)
InChIKey
KGMFSTPSQOLFGB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(c1ccc(cc1)F)NCc1ccccc1
Isomeric Smiles
Fc1ccc(cc1)C(NCc1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
1.6172829
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.61835223
LogD (pH = 7.4)
0.6091004
Log P
0.61833215
Molar Refractivity
69.9649
Polarizability
27.132444
Polar Surface Area
49.33
Rotatable Bonds
5
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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