Molecule

ID:86200

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇ClN₂O₄
Molecular Mass
266.63728
Exact Mass
266.00943439
Charge
0
InChI
InChI=1S/C11H7ClN2O4/c1-18-11(15)10-5-8(12)7-4-6(14(16)17)2-3-9(7)13-10/h2-5H,1H3
InChIKey
MLNZGLXWSKPMPQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(Cl)c2c(n1)ccc(c2)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1ccc2nc(cc(c2c1)Cl)C(=O)OC)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.864255
LogD (pH = 7.4)
2.8642566
Log P
2.8642566
Molar Refractivity
63.7621
Polarizability
25.190723
Polar Surface Area
85.01
Rotatable Bonds
3
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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