Molecule

ID:41709

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClNO₆
Molecular Mass
287.6532
Exact Mass
287.01966473
Charge
0
InChI
InChI=1S/C11H10ClNO6/c1-18-10(14)9(11(15)19-2)8-6(12)4-3-5-7(8)13(16)17/h3-5,9H,1-2H3
InChIKey
IPIPPPPYURNJHW-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(c1c(Cl)cccc1[N+](=O)[O-])C(=O)OC
Isomeric Smiles
c1ccc(c(c1Cl)C(C(=O)OC)C(=O)OC)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
8.376479
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.1809134
LogD (pH = 7.4)
2.1379347
Log P
2.18149
Molar Refractivity
65.325
Polarizability
25.061563
Polar Surface Area
98.42
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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