Molecule

ID:79688

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆ClNO₄
Molecular Mass
273.71274
Exact Mass
273.07678568
Charge
0
InChI
InChI=1S/C12H16ClNO4/c1-3-5-6-18-12-7-9(13)11(17-4-2)8-10(12)14(15)16/h7-8H,3-6H2,1-2H3
InChIKey
AGWJMGYUNAWYIO-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1cc(Cl)c(cc1[N+](=O)[O-])OCC
Isomeric Smiles
[N+](=O)(c1c(cc(c(c1)OCC)Cl)OCCCC)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.8826392
LogD (pH = 7.4)
3.8826392
Log P
3.8826392
Molar Refractivity
69.7361
Polarizability
26.568178
Polar Surface Area
64.28
Rotatable Bonds
7
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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