Molecule

ID:82352

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₃Cl₂NO₄
Molecular Mass
366.19542
Exact Mass
365.02216326
Charge
0
InChI
InChI=1S/C17H13Cl2NO4/c18-10-9-15-20(16(21)12-6-2-4-8-14(12)23-15)24-17(22)11-5-1-3-7-13(11)19/h1-8,15H,9-10H2
InChIKey
RZZTUGOSOZTEBO-UHFFFAOYSA-N
Canonic Smiles
ClCCC1Oc2ccccc2C(=O)N1OC(=O)c1ccccc1Cl
Isomeric Smiles
N1(C(=O)c2c(cccc2)OC1CCCl)OC(=O)c1ccccc1Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.7769675
LogD (pH = 7.4)
4.7769675
Log P
4.7769675
Molar Refractivity
89.4514
Polarizability
34.62024
Polar Surface Area
55.84
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
No Data Available
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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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