Molecule

ID:95655

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉Cl₂F₃N₂O₂
Molecular Mass
329.1025696
Exact Mass
327.99931756
Charge
0
InChI
InChI=1S/C11H9Cl2F3N2O2/c12-4-9(19)17-7-1-6(11(14,15)16)2-8(3-7)18-10(20)5-13/h1-3H,4-5H2,(H,17,19)(H,18,20)
InChIKey
VISHKUDGGIBHNI-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1cc(NC(=O)CCl)cc(c1)C(F)(F)F
Isomeric Smiles
N(c1cc(cc(c1)NC(=O)CCl)C(F)(F)F)C(=O)CCl
Calculated Properties
JChem
Acid pKa
12.726595
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.4012027
LogD (pH = 7.4)
2.4012008
Log P
2.4012027
Molar Refractivity
71.2641
Polarizability
25.287703
Polar Surface Area
58.2
Rotatable Bonds
5
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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