Molecule

ID:38335

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(6-7-17(16)21)20-10-8-19(9-11-20)13-14-4-2-1-3-5-14/h1-7,12,21H,8-11,13H2
InChIKey
IWHXCVNWMFVYLK-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(ccc1O)N1CCN(CC1)Cc1ccccc1
Isomeric Smiles
c1(c(cc(cc1)N1CCN(CC1)Cc1ccccc1)F)O
Calculated Properties
JChem
Acid pKa
9.251008
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.0805573
LogD (pH = 7.4)
2.8307855
Log P
3.254284
Molar Refractivity
83.3466
Polarizability
31.316765
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
Molecule Details
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References
Bioactivity
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