Molecule

ID:81981

General Information
Structure
Molecular Formula
C₁₁H₁₆Cl₃NO₅
Molecular Mass
348.60744
Exact Mass
347.00940566
Charge
0
InChI
InChI=1S/C11H16Cl3NO5/c1-4-19-9(17)7(10(18)20-5-2)8(11(12,13)14)15-6(3)16/h7-8H,4-5H2,1-3H3,(H,15,16)
InChIKey
AERLULZTQPTSIG-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(C(Cl)(Cl)Cl)NC(=O)C)C(=O)OCC
Isomeric Smiles
N(C(C(C(=O)OCC)C(=O)OCC)C(Cl)(Cl)Cl)C(=O)C
Calculated Properties
JChem
Acid pKa
9.8954935
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2833742
LogD (pH = 7.4)
1.2821625
Log P
1.2833898
Molar Refractivity
75.0984
Polarizability
29.639248
Polar Surface Area
81.7
Rotatable Bonds
9
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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