Molecule

ID:83756

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₆ClNO₄
Molecular Mass
345.77694
Exact Mass
345.07678568
Charge
0
InChI
InChI=1S/C18H16N.ClHO4/c1-2-10-17-14(6-1)7-5-8-15-13-19-11-4-3-9-16(19)12-18(15)17;2-1(3,4)5/h1-4,6,9-13H,5,7-8H2;(H,2,3,4,5)/q+1;/p-1
InChIKey
RZRYKFBQBSBSNX-UHFFFAOYSA-M
Canonic Smiles
C1Cc2c[n+]3ccccc3cc2c2c(C1)cccc2.[O-][Cl](=O)(=O)=O
Isomeric Smiles
[Cl](=O)(=O)(=O)[O-].[n+]12ccccc1cc1c(c2)CCCc2c1cccc2
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.8509331
LogD (pH = 7.4)
1.8509331
Log P
1.8509331
Molar Refractivity
80.5011
Polarizability
32.277115
Polar Surface Area
4.1
Rotatable Bonds
0
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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