Molecule

ID:13232

General Information
Structure
Molecular Formula
C₁₅H₁₆FNO
Molecular Mass
245.2920432
Exact Mass
245.12159236
Charge
0
InChI
InChI=1S/C15H16FNO/c1-18-15-7-5-12(6-8-15)10-17-11-13-3-2-4-14(16)9-13/h2-9,17H,10-11H2,1H3
InChIKey
SAEBHLLFWLCZQP-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CNCc1cccc(c1)F
Isomeric Smiles
c1c(ccc(c1)CNCc1cc(ccc1)F)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.2899314
LogD (pH = 7.4)
1.8661904
Log P
3.2410984
Molar Refractivity
70.5982
Polarizability
27.292074
Polar Surface Area
21.26
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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