N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-3-[(2Z)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinyl]benzamide
Formula:C25H20N6O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-3-[(2Z)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinyl]benzamide is not a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-3-[(2Z)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinyl]benzamide |
| MolecularFormula | C25H20N6O5 |
| Smiles | [O-][N+](c1c(/C=C/C=N\NC(c2cccc(N/N=C\C=C\c(cccc3)c3[N+]([O-])=O)c2)=O)cccc1)=O |
| InChI | InChI=1S/C25H20N6O5/c32-25(29-27-17-7-12-20-9-2-4-15-24(20)31(35)36)21-10-5-13-22(18-21)28-26-16-6-11-19-8-1-3-14-23(19)30(33)34/h1-18,28H,(H,29,32) |
| InChIK | FCDVUUAKJBWLCP-UHFFFAOYSA-N |
| TotalMolweight | 484.471 |
| Molweight | 484.471 |
| MonoisotopicMass | 484.149519 |
| CLogP | 4.5763 |
| CLogS | -6.758 |
| H Acceptors | 11 |
| H Donors | 2 |
| TotalSurfaceArea | 383.31 |
| Relative PSA | 0.31259 |
| PolarSurfaceArea | 157.49 |
| Druglikeness | -0.71953 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-3-[(2Z)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinyl]benzamide | 2 - N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-3-[(2Z)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinyl]benzamide
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