Molecule

ID:134811

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆FN
Molecular Mass
229.2926432
Exact Mass
229.12667774
Charge
0
InChI
InChI=1S/C15H16FN/c1-12(17)15(16,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,17H2,1H3/t12-/m1/s1
InChIKey
FFNWFJOGQBZZQZ-GFCCVEGCSA-N
Canonic Smiles
C[C@H](C(c1ccccc1)(c1ccccc1)F)N
Isomeric Smiles
C[C@H](C(c1ccccc1)(c1ccccc1)F)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.52731544
LogD (pH = 7.4)
2.0776513
Log P
3.2858684
Molar Refractivity
67.9238
Polarizability
26.657257
Polar Surface Area
26.02
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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