Molecule

ID:100053

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀FNO₂
Molecular Mass
255.2438032
Exact Mass
255.06955679
Charge
0
InChI
InChI=1S/C15H10FNO2/c16-11-7-5-10(6-8-11)9-17-14(18)12-3-1-2-4-13(12)15(17)19/h1-8H,9H2
InChIKey
WBYPZQIEVABAGS-UHFFFAOYSA-N
Canonic Smiles
O=C1N(Cc2ccc(cc2)F)C(=O)c2c1cccc2
Isomeric Smiles
N1(Cc2ccc(cc2)F)C(=O)c2c(cccc2)C1=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.784274
LogD (pH = 7.4)
2.784274
Log P
2.784274
Molar Refractivity
69.0405
Polarizability
25.244843
Polar Surface Area
37.38
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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