Molecule

ID:14332

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄FNO₂
Molecular Mass
259.2755632
Exact Mass
259.10085691
Charge
0
InChI
InChI=1S/C15H14FNO2/c16-13-4-1-11(2-5-13)8-17-9-12-3-6-14-15(7-12)19-10-18-14/h1-7,17H,8-10H2
InChIKey
QZYDHJQNBCPBGJ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)CNCc1ccc2c(c1)OCO2
Isomeric Smiles
c12c(ccc(c1)CNCc1ccc(cc1)F)OCO2
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.12155649
LogD (pH = 7.4)
1.7396629
Log P
3.0220032
Molar Refractivity
69.9019
Polarizability
27.242708
Polar Surface Area
30.49
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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