Molecule

ID:19969

General Information
Structure
Molecular Formula
C₁₅H₁₇FN₂O
Molecular Mass
260.3066832
Exact Mass
260.13249139
Charge
0
InChI
InChI=1S/C15H17FN2O/c1-18(13-5-3-2-4-6-13)9-10-19-15-8-7-12(16)11-14(15)17/h2-8,11H,9-10,17H2,1H3
InChIKey
KCYIYFRHIRJVQW-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)N)OCCN(c1ccccc1)C
Isomeric Smiles
c1(cc(ccc1OCCN(c1ccccc1)C)F)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.0337067
LogD (pH = 7.4)
3.039047
Log P
3.0391152
Molar Refractivity
75.9556
Polarizability
28.055723
Polar Surface Area
38.49
Rotatable Bonds
5
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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