Molecule

ID:95282

General Information
Structure
Molecular Formula
C₁₇H₁₄Cl₂F₃NO₂
Molecular Mass
392.1997696
Exact Mass
391.03536871
Charge
0
InChI
InChI=1S/C17H14Cl2F3NO2/c1-9-5-12(6-10(2)16(9)19)25-14-4-3-11(17(20,21)22)7-13(14)23-15(24)8-18/h3-7H,8H2,1-2H3,(H,23,24)
InChIKey
IMJHCQSRDFGBRR-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1cc(ccc1Oc1cc(C)c(c(c1)C)Cl)C(F)(F)F
Isomeric Smiles
N(c1cc(ccc1Oc1cc(c(c(c1)C)Cl)C)C(F)(F)F)C(=O)CCl
Calculated Properties
JChem
Acid pKa
11.765876
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.757323
LogD (pH = 7.4)
5.757305
Log P
5.7573233
Molar Refractivity
92.7759
Polarizability
33.977997
Polar Surface Area
38.33
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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