Molecule

ID:20178

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄F₃NO
Molecular Mass
281.2729696
Exact Mass
281.10274873
Charge
0
InChI
InChI=1S/C15H14F3NO/c16-15(17,18)13-10-12(19)6-7-14(13)20-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9,19H2
InChIKey
GAJZPDPCDZOKDP-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C(F)(F)F)OCCc1ccccc1
Isomeric Smiles
c1(C(F)(F)F)c(ccc(c1)N)OCCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.8592117
LogD (pH = 7.4)
3.8773944
Log P
3.8776314
Molar Refractivity
72.5629
Polarizability
26.353664
Polar Surface Area
35.25
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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