Molecule

ID:80846

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀Cl₂N₄O₄
Molecular Mass
381.1703
Exact Mass
380.00791018
Charge
0
InChI
InChI=1S/C15H10Cl2N4O4/c1-8(22)20-15(9-2-4-11(5-3-9)21(23)24)25-14(19-20)10-6-12(16)18-13(17)7-10/h2-7,15H,1H3
InChIKey
YWJOELAHIKLXJK-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N1N=C(OC1c1ccc(cc1)[N+](=O)[O-])c1cc(Cl)nc(c1)Cl
Isomeric Smiles
N1(N=C(c2cc(nc(c2)Cl)Cl)OC1c1ccc(cc1)[N+](=O)[O-])C(=O)C
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
3.640126
LogD (pH = 7.4)
3.640126
Log P
3.640126
Molar Refractivity
92.4531
Polarizability
34.21289
Polar Surface Area
100.61
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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