4-nitro-N-[(Z)-quinoxalin-6-ylmethylideneamino]benzamide
Molecular Formula : C16H11N5O3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |4-nitro-N-[(Z)-quinoxalin-6-ylmethylideneamino]benzamide is a drug-like molecule.
MolName : 4-nitro-N-[(Z)-quinoxalin-6-ylmethylideneamino]benzamide |
MolecularFormula : C16H11N5O3 |
Smiles : [O-][N+](c(cc1)ccc1C(N/N=C\c1cc2nccnc2cc1)=O)=O |
InChI : InChI=1S/C16H11N5O3/c22-16(12-2-4-13(5-3-12)21(23)24)20-19-10-11-1-6-14-15(9-11)18-8-7-17-14/h1-10H,(H,20,22) |
InChIK : QDFNLZSGWULIBU-UHFFFAOYSA-N |
TotalMolweight : 321.295 |
Molweight : 321.295 |
MonoisotopicMass : 321.08619 |
CLogP : 1.7176 |
CLogS : -3.987 |
H Acceptors : 8 |
H Donors : 1 |
TotalSurfaceArea : 242.78 |
Relative PSA : 0.36399 |
PolarSurfaceArea : 113.06 |
Druglikeness : -0.75305 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.66667 |
Fragments : 1 |
Non HAtoms : 24 |
NonCHAtoms : 8 |
Electronegative Atoms : 8 |
Rotatable Bond : 4 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 3 |
Aromatic Atoms : 16 |
Sp3Atoms : 1 |
Symmetricatoms : 2 |
Aromatic Nitrogens : 2 |
AcidicOxygens : 1 |
StereoCon : |