Molecule

ID:36500

General Information
Structure
MolImage
Molecular Formula
C₁₁H₆Cl₂N₂O₄
Molecular Mass
301.08234
Exact Mass
299.97046204
Charge
0
InChI
InChI=1S/C11H6Cl2N2O4/c12-5-10-8(11(16)19-14-10)4-6-3-7(15(17)18)1-2-9(6)13/h1-4H,5H2/b8-4+
InChIKey
LDIXNKWKXODYHB-XBXARRHUSA-N
Canonic Smiles
ClCC1=NOC(=O)/C/1=C/c1cc(ccc1Cl)[N+](=O)[O-]
Isomeric Smiles
C\1(=C\c2c(ccc(c2)[N+](=O)[O-])Cl)/C(=O)ON=C1CCl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.743379
LogD (pH = 7.4)
3.7433794
Log P
3.7433794
Molar Refractivity
69.8975
Polarizability
25.935886
Polar Surface Area
84.48
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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