Molecule

ID:19489

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆FN
Molecular Mass
229.2926432
Exact Mass
229.12667774
Charge
0
InChI
InChI=1S/C15H16FN/c1-10-3-4-12(7-11(10)2)13-5-6-15(16)14(8-13)9-17/h3-8H,9,17H2,1-2H3
InChIKey
GBSWRJOZHRNJLF-UHFFFAOYSA-N
Canonic Smiles
NCc1cc(ccc1F)c1ccc(c(c1)C)C
Isomeric Smiles
c1(cc(c2cc(c(cc2)C)C)ccc1F)CN
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.0190531
LogD (pH = 7.4)
2.3530834
Log P
3.9157844
Molar Refractivity
69.9664
Polarizability
27.872816
Polar Surface Area
26.02
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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