Molecule

ID:39823

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₅Cl₂NO₃
Molecular Mass
352.2119
Exact Mass
351.04289871
Charge
0
InChI
InChI=1S/C17H15Cl2NO3/c1-3-23-16(21)7-5-13-8-11(10-20(13)2)17(22)14-6-4-12(18)9-15(14)19/h4-10H,3H2,1-2H3/b7-5+
InChIKey
AFKSFPVJVRYLNT-FNORWQNLSA-N
Canonic Smiles
CCOC(=O)/C=C/c1cc(cn1C)C(=O)c1ccc(cc1Cl)Cl
Isomeric Smiles
c1(C(=O)c2c(cc(cc2)Cl)Cl)cn(c(c1)/C=C/C(=O)OCC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.7631254
LogD (pH = 7.4)
4.7631254
Log P
4.7631254
Molar Refractivity
92.2957
Polarizability
35.04606
Polar Surface Area
48.3
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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