Molecule

ID:62012

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇FN₂O
Molecular Mass
260.3066832
Exact Mass
260.13249139
Charge
0
InChI
InChI=1S/C15H17FN2O/c16-12-7-4-3-6-11(12)14-10-15(19-18-14)13-8-2-1-5-9-17-13/h3-4,6-7,10,13,17H,1-2,5,8-9H2
InChIKey
KBRWJJFDVOZCAC-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1c1noc(c1)C1CCCCCN1
Isomeric Smiles
c1(cc(on1)C1NCCCCC1)c1c(F)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.4596885
LogD (pH = 7.4)
2.0872512
Log P
3.3466206
Molar Refractivity
72.0193
Polarizability
28.760838
Polar Surface Area
38.06
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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