Molecule

ID:95201

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₁F₆NO₃
Molecular Mass
391.2645592
Exact Mass
391.06431254
Charge
0
InChI
InChI=1S/C17H11F6NO3/c18-16(19,20)12-5-3-11(4-6-12)15(26)24(10-13-2-1-9-27-13)8-7-14(25)17(21,22)23/h1-9H,10H2
InChIKey
KPHNKRMDDBDSSH-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)C(F)(F)F)N(Cc1ccco1)/C=C/C(=O)C(F)(F)F
Isomeric Smiles
N(/C=C/C(=O)C(F)(F)F)(C(=O)c1ccc(cc1)C(F)(F)F)Cc1ccco1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.3265734
LogD (pH = 7.4)
4.3265734
Log P
4.3265734
Molar Refractivity
83.4761
Polarizability
29.521017
Polar Surface Area
50.52
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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