1,3-bis[(Z)-(3-nitrophenyl)methylideneamino]urea
Formula:C15H12N6O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1,3-bis[(Z)-(3-nitrophenyl)methylideneamino]urea is not a drug-like molecule.
| MolName | 1,3-bis[(Z)-(3-nitrophenyl)methylideneamino]urea |
| MolecularFormula | C15H12N6O5 |
| Smiles | [O-][N+](c1cccc(/C=N\NC(N/N=C\c2cccc([N+]([O-])=O)c2)=O)c1)=O |
| InChI | InChI=1S/C15H12N6O5/c22-15(18-16-9-11-3-1-5-13(7-11)20(23)24)19-17-10-12-4-2-6-14(8-12)21(25)26/h1-10H,(H2,18,19,22) |
| InChIK | DKFSPJZPMJPBKN-UHFFFAOYSA-N |
| TotalMolweight | 356.297 |
| Molweight | 356.297 |
| MonoisotopicMass | 356.086919 |
| CLogP | 1.7468 |
| CLogS | -5.75 |
| H Acceptors | 11 |
| H Donors | 2 |
| TotalSurfaceArea | 270.55 |
| Relative PSA | 0.44288 |
| PolarSurfaceArea | 157.49 |
| Druglikeness | -1.7633 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 12 |
| AcidicOxygens | 2 |
| StereoCon |
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