Molecule

ID:83642

General Information
Structure
Molecular Formula
C₁₁H₁₄ClNO₄
Molecular Mass
259.68616
Exact Mass
259.06113561
Charge
0
InChI
InChI=1S/C11H14ClNO4/c1-3-5-17-10-7-9(13(14)15)11(16-4-2)6-8(10)12/h6-7H,3-5H2,1-2H3
InChIKey
CUEHWGDESBLWOS-UHFFFAOYSA-N
Canonic Smiles
CCCOc1cc([N+](=O)[O-])c(cc1Cl)OCC
Isomeric Smiles
[N+](=O)(c1c(cc(c(c1)OCCC)Cl)OCC)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.4380705
LogD (pH = 7.4)
3.4380705
Log P
3.4380705
Molar Refractivity
65.1351
Polarizability
24.743141
Polar Surface Area
64.28
Rotatable Bonds
6
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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