Molecule

ID:79176

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀ClN₃O₄
Molecular Mass
331.7106
Exact Mass
331.0359835
Charge
0
InChI
InChI=1S/C15H10ClN3O4/c1-22-11-4-2-3-9(7-11)14-17-18-15(23-14)12-8-10(19(20)21)5-6-13(12)16/h2-8H,1H3
InChIKey
RJKGFXOOHQDIJC-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)c1nnc(o1)c1cc(ccc1Cl)[N+](=O)[O-]
Isomeric Smiles
o1c(nnc1c1cccc(c1)OC)c1cc(ccc1Cl)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
3.3905835
LogD (pH = 7.4)
3.3905838
Log P
3.3905838
Molar Refractivity
105.7795
Polarizability
32.31774
Polar Surface Area
93.97
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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