Molecule

ID:84176

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClNO₄
Molecular Mass
243.6437
Exact Mass
243.02983549
Charge
0
InChI
InChI=1S/C10H10ClNO4/c1-15-8-4-3-7(5-9(8)16-2)6-10(11)12(13)14/h3-6H,1-2H3
InChIKey
SACXDDNLWKKUEW-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1OC)/C=C(/[N+](=O)[O-])\Cl
Isomeric Smiles
[N+](=O)(/C(=C/c1cc(c(cc1)OC)OC)/Cl)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.6234167
LogD (pH = 7.4)
2.6234167
Log P
2.6234167
Molar Refractivity
59.21
Polarizability
22.732407
Polar Surface Area
64.28
Rotatable Bonds
4
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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