Molecule

ID:38334

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉FN₂O
Molecular Mass
286.3439632
Exact Mass
286.14814146
Charge
0
InChI
InChI=1S/C17H19FN2O/c18-16-12-15(21)6-7-17(16)20-10-8-19(9-11-20)13-14-4-2-1-3-5-14/h1-7,12,21H,8-11,13H2
InChIKey
PIPUVIVUPYSYRA-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(c(c1)F)N1CCN(CC1)Cc1ccccc1
Isomeric Smiles
c1(cc(c(cc1)N1CCN(CC1)Cc1ccccc1)F)O
Calculated Properties
JChem
Acid pKa
9.3897705
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5132643
LogD (pH = 7.4)
3.1407173
Log P
3.3580625
Molar Refractivity
83.3466
Polarizability
31.31755
Polar Surface Area
26.71
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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