Molecule

ID:81982

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆Cl₃NO₆
Molecular Mass
364.60684
Exact Mass
363.00432028
Charge
0
InChI
InChI=1S/C11H16Cl3NO6/c1-4-20-8(16)6(9(17)21-5-2)7(11(12,13)14)15-10(18)19-3/h6-7H,4-5H2,1-3H3,(H,15,18)
InChIKey
SNCKPYPSYRJYTP-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(C(Cl)(Cl)Cl)NC(=O)OC)C(=O)OCC
Isomeric Smiles
N(C(C(C(=O)OCC)C(=O)OCC)C(Cl)(Cl)Cl)C(=O)OC
Calculated Properties
JChem
Acid pKa
10.520633
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.9026773
LogD (pH = 7.4)
1.9023895
Log P
1.9026809
Molar Refractivity
76.722
Polarizability
30.418169
Polar Surface Area
90.93
Rotatable Bonds
10
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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