Molecule

ID:96154

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀Cl₃F₃N₂O
Molecular Mass
397.6069096
Exact Mass
395.98108065
Charge
0
InChI
InChI=1S/C15H10Cl3F3N2O/c1-7-4-8(16)5-11(17)9(7)6-23-14(24)12-10(15(19,20)21)2-3-22-13(12)18/h2-5H,6H2,1H3,(H,23,24)
InChIKey
UQPBJGPNYHPFJU-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(C)c(c(c1)Cl)CNC(=O)c1c(Cl)nccc1C(F)(F)F
Isomeric Smiles
N(C(=O)c1c(ccnc1Cl)C(F)(F)F)Cc1c(cc(cc1C)Cl)Cl
Calculated Properties
JChem
Acid pKa
11.827459
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.977943
LogD (pH = 7.4)
4.9779296
Log P
4.977944
Molar Refractivity
88.9794
Polarizability
32.54511
Polar Surface Area
41.99
Rotatable Bonds
4
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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