Molecule

ID:95565

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁ClF₃NO₃
Molecular Mass
345.7009496
Exact Mass
345.03795556
Charge
0
InChI
InChI=1S/C15H11ClF3NO3/c1-8-3-9(2)5-10(4-8)23-14-7-12(16)11(15(17,18)19)6-13(14)20(21)22/h3-7H,1-2H3
InChIKey
MGYPCPQAEMAIGV-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(cc(c1)C)Oc1cc(Cl)c(cc1[N+](=O)[O-])C(F)(F)F
Isomeric Smiles
[N+](=O)(c1c(cc(c(c1)C(F)(F)F)Cl)Oc1cc(cc(c1)C)C)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.922253
LogD (pH = 7.4)
5.922253
Log P
5.922253
Molar Refractivity
80.4844
Polarizability
29.20162
Polar Surface Area
55.05
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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