Molecule

ID:65359

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₆F₃NO
Molecular Mass
307.3102496
Exact Mass
307.1183988
Charge
0
InChI
InChI=1S/C17H16F3NO/c18-17(19,20)16(22)11-21(12-16)15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15,22H,11-12H2
InChIKey
WGGVLWJKPPOWCR-UHFFFAOYSA-N
Canonic Smiles
FC(C1(O)CN(C1)C(c1ccccc1)c1ccccc1)(F)F
Isomeric Smiles
C1C(CN1C(c1ccccc1)c1ccccc1)(C(F)(F)F)O
Calculated Properties
JChem
Acid pKa
10.563443
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.4743323
LogD (pH = 7.4)
3.7695837
Log P
3.7758877
Molar Refractivity
78.2167
Polarizability
29.687162
Polar Surface Area
23.47
Rotatable Bonds
4
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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