Molecule

ID:38325

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉FN₂O
Molecular Mass
286.3439632
Exact Mass
286.14814146
Charge
0
InChI
InChI=1S/C17H19FN2O/c18-15-7-4-8-16(21)17(15)20-11-9-19(10-12-20)13-14-5-2-1-3-6-14/h1-8,21H,9-13H2
InChIKey
YAJIVTAGOIDDAP-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc(c1N1CCN(CC1)Cc1ccccc1)F
Isomeric Smiles
c1(c(c(ccc1)F)N1CCN(CC1)Cc1ccccc1)O
Calculated Properties
JChem
Acid pKa
9.291549
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.7425026
LogD (pH = 7.4)
3.2542057
Log P
3.492019
Molar Refractivity
83.3466
Polarizability
31.319729
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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