Molecule

ID:121684

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈FNO₂
Molecular Mass
287.3287232
Exact Mass
287.13215704
Charge
0
InChI
InChI=1S/C17H18FNO2/c1-20-15-9-12-7-8-19-17(14(12)10-16(15)21-2)11-3-5-13(18)6-4-11/h3-6,9-10,17,19H,7-8H2,1-2H3
InChIKey
KWBPKDVQTDDUMU-UHFFFAOYSA-N
Canonic Smiles
COc1cc2c(cc1OC)CCNC2c1ccc(cc1)F
Isomeric Smiles
c12C(NCCc2cc(c(c1)OC)OC)c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.50036055
LogD (pH = 7.4)
2.2140634
Log P
3.1830828
Molar Refractivity
80.0412
Polarizability
30.84369
Polar Surface Area
30.49
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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