[(Z)-[2-[4-[(2Z)-2-(carbamoylhydrazinylidene)acetyl]-2-nitrophenyl]-2-oxoethylidene]amino]urea
Formula:C12H11N7O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[2-[4-[(2Z)-2-(carbamoylhydrazinylidene)acetyl]-2-nitrophenyl]-2-oxoethylidene]amino]urea is not a drug-like molecule.
| MolName | [(Z)-[2-[4-[(2Z)-2-(carbamoylhydrazinylidene)acetyl]-2-nitrophenyl]-2-oxoethylidene]amino]urea |
| MolecularFormula | C12H11N7O6 |
| Smiles | NC(N/N=C\C(c(cc1)cc([N+]([O-])=O)c1C(/C=N\NC(N)=O)=O)=O)=O |
| InChI | InChI=1S/C12H11N7O6/c13-11(22)17-15-4-9(20)6-1-2-7(8(3-6)19(24)25)10(21)5-16-18-12(14)23/h1-5H,(H3,13,17,22)(H3,14,18,23) |
| InChIK | FPPKZVCAHMUFRG-UHFFFAOYSA-N |
| TotalMolweight | 349.262 |
| Molweight | 349.262 |
| MonoisotopicMass | 349.077083 |
| CLogP | -2.7128 |
| CLogS | -4.608 |
| H Acceptors | 13 |
| H Donors | 4 |
| TotalSurfaceArea | 257.41 |
| Relative PSA | 0.61792 |
| PolarSurfaceArea | 214.92 |
| Druglikeness | -0.57106 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 7 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - [(Z)-[2-[4-[(2Z)-2-(carbamoylhydrazinylidene)acetyl]-2-nitrophenyl]-2-oxoethylidene]amino]urea | 2 - [(Z)-[2-[4-[(2Z)-2-(carbamoylhydrazinylidene)acetyl]-2-nitrophenyl]-2-oxoethylidene]amino]urea
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