Molecule

ID:94643

General Information
Structure
Molecular Formula
C₁₅H₁₄FNO₂
Molecular Mass
259.2755632
Exact Mass
259.10085691
Charge
0
InChI
InChI=1S/C15H14FNO2/c16-13-9-5-4-8-12(13)14(15(18)19)17-10-11-6-2-1-3-7-11/h1-9,14,17H,10H2,(H,18,19)
InChIKey
BFPKXUHPFGTYCO-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1C(C(=O)O)NCc1ccccc1
Isomeric Smiles
Fc1c(cccc1)C(NCc1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
1.635909
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.6210614
LogD (pH = 7.4)
0.59112203
Log P
0.6212272
Molar Refractivity
69.9649
Polarizability
27.132248
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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