Molecule

ID:29182

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆FN
Molecular Mass
229.2926432
Exact Mass
229.12667774
Charge
0
InChI
InChI=1S/C15H16FN/c1-11-6-5-7-12(2)15(11)17-10-13-8-3-4-9-14(13)16/h3-9,17H,10H2,1-2H3
InChIKey
RRANXVUFSFDXHB-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1CNc1c(C)cccc1C
Isomeric Smiles
N(c1c(cccc1C)C)Cc1c(F)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.3332047
LogD (pH = 7.4)
4.339955
Log P
4.3400416
Molar Refractivity
71.1632
Polarizability
26.08482
Polar Surface Area
12.03
Rotatable Bonds
3
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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