Molecule

ID:29864

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClNO₆
Molecular Mass
275.6425
Exact Mass
275.01966473
Charge
0
InChI
InChI=1S/C10H10ClNO6/c1-16-8-3-6(5-18-10(11)13)7(12(14)15)4-9(8)17-2/h3-4H,5H2,1-2H3
InChIKey
RWWPKIOWBQFXEE-UHFFFAOYSA-N
Canonic Smiles
COc1cc(COC(=O)Cl)c(cc1OC)[N+](=O)[O-]
Isomeric Smiles
c1c(c(cc(c1[N+](=O)[O-])COC(=O)Cl)OC)OC
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.27839
LogD (pH = 7.4)
2.27839
Log P
2.27839
Molar Refractivity
62.9895
Polarizability
23.815174
Polar Surface Area
90.58
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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