[(Z)-[5-[(Z)-(carbamoylhydrazinylidene)methyl]-2,4-dinitrophenyl]methylideneamino]urea
Formula:C10H10N8O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[5-[(Z)-(carbamoylhydrazinylidene)methyl]-2,4-dinitrophenyl]methylideneamino]urea is not a drug-like molecule.
| MolName | [(Z)-[5-[(Z)-(carbamoylhydrazinylidene)methyl]-2,4-dinitrophenyl]methylideneamino]urea |
| MolecularFormula | C10H10N8O6 |
| Smiles | NC(N/N=C\c(c([N+]([O-])=O)c1)cc(C=NNC(N)=O)c1[N+]([O-])=O)=O |
| InChI | InChI=1S/C10H10N8O6/c11-9(19)15-13-3-5-1-6(4-14-16-10(12)20)8(18(23)24)2-7(5)17(21)22/h1-4H,(H3,11,15,19)(H3,12,16,20) |
| InChIK | IDLSMHKCNIQGLJ-UHFFFAOYSA-N |
| TotalMolweight | 338.239 |
| Molweight | 338.239 |
| MonoisotopicMass | 338.072332 |
| CLogP | -1.2322 |
| CLogS | -4.932 |
| H Acceptors | 14 |
| H Donors | 4 |
| TotalSurfaceArea | 245.58 |
| Relative PSA | 0.66536 |
| PolarSurfaceArea | 226.6 |
| Druglikeness | -0.89857 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 14 |
| Electronegative Atoms | 14 |
| Rotatable Bond | 6 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Amides | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - [(Z)-[5-[(Z)-(carbamoylhydrazinylidene)methyl]-2,4-dinitrophenyl]methylideneamino]urea | 2 - [(Z)-[5-[(Z)-(carbamoylhydrazinylidene)methyl]-2,4-dinitrophenyl]methylideneamino]urea
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