Molecule

ID:99335

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₆FNO
Molecular Mass
269.3134432
Exact Mass
269.12159236
Charge
0
InChI
InChI=1S/C17H16FNO/c1-19(2)16-10-3-13(4-11-16)5-12-17(20)14-6-8-15(18)9-7-14/h3-12H,1-2H3
InChIKey
WXIXYWVTPSVBET-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C(=O)/C=C/c1ccc(cc1)N(C)C
Isomeric Smiles
O=C(c1ccc(cc1)F)/C=C/c1ccc(cc1)N(C)C
Calculated Properties
JChem
Acid pKa
17.416737
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.073078
LogD (pH = 7.4)
4.1401453
Log P
4.1410713
Molar Refractivity
81.522
Polarizability
29.799524
Polar Surface Area
20.31
Rotatable Bonds
4
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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