N-(2-nitrophenyl)-N'-[(Z)-(4-oxochromen-3-yl)methylideneamino]butanediamide
Formula:C20H16N4O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(2-nitrophenyl)-N'-[(Z)-(4-oxochromen-3-yl)methylideneamino]butanediamide is a drug-like molecule.
| MolName | N-(2-nitrophenyl)-N'-[(Z)-(4-oxochromen-3-yl)methylideneamino]butanediamide |
| MolecularFormula | C20H16N4O6 |
| Smiles | [O-][N+](c(cccc1)c1NC(CCC(N/N=C\C1=COc(cccc2)c2C1=O)=O)=O)=O |
| InChI | InChI=1S/C20H16N4O6/c25-18(22-15-6-2-3-7-16(15)24(28)29)9-10-19(26)23-21-11-13-12-30-17-8-4-1-5-14(17)20(13)27/h1-8,11-12H,9-10H2,(H,22,25)(H,23,26) |
| InChIK | REJZRKKHVZACOP-UHFFFAOYSA-N |
| TotalMolweight | 408.369 |
| Molweight | 408.369 |
| MonoisotopicMass | 408.106986 |
| CLogP | 1.2485 |
| CLogS | -5.075 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 306.35 |
| Relative PSA | 0.37203 |
| PolarSurfaceArea | 142.68 |
| Druglikeness | -0.76595 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-(2-nitrophenyl)-N'-[(Z)-(4-oxochromen-3-yl)methylideneamino]butanediamide | 2 - N-(2-nitrophenyl)-N'-[(Z)-(4-oxochromen-3-yl)methylideneamino]butanediamide
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