Molecule

ID:83620

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₇Cl₂NO₄
Molecular Mass
370.22718
Exact Mass
369.05346339
Charge
0
InChI
InChI=1S/C17H17ClN.ClHO4/c1-19(2)13-12-17(18)16-10-8-15(9-11-16)14-6-4-3-5-7-14;2-1(3,4)5/h3-13H,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChIKey
IYOKCZNMFCMCMG-UHFFFAOYSA-M
Canonic Smiles
[O-][Cl](=O)(=O)=O.Cl/C(=C\C=[N+](C)C)/c1ccc(cc1)c1ccccc1
Isomeric Smiles
[Cl](=O)(=O)(=O)[O-].[N+](=C/C=C(/c1ccc(cc1)c1ccccc1)\Cl)(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
0.4986298
LogD (pH = 7.4)
0.4986298
Log P
0.4986298
Molar Refractivity
95.0523
Polarizability
33.251347
Polar Surface Area
3.01
Rotatable Bonds
3
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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