[(Z)-[2,4-diamino-5-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea
Formula:C10H14N8O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(Z)-[2,4-diamino-5-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea is not a drug-like molecule.
| MolName | [(Z)-[2,4-diamino-5-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea |
| MolecularFormula | C10H14N8O2 |
| Smiles | NC(N/N=C\c(c(N)c1)cc(/C=N\NC(N)=O)c1N)=O |
| InChI | InChI=1S/C10H14N8O2/c11-7-2-8(12)6(4-16-18-10(14)20)1-5(7)3-15-17-9(13)19/h1-4H,11-12H2,(H3,13,17,19)(H3,14,18,20) |
| InChIK | SJTALAVWLHTWSN-UHFFFAOYSA-N |
| TotalMolweight | 278.275 |
| Molweight | 278.275 |
| MonoisotopicMass | 278.123972 |
| CLogP | -0.7436 |
| CLogS | -4.164 |
| H Acceptors | 10 |
| H Donors | 6 |
| TotalSurfaceArea | 215.28 |
| Relative PSA | 0.61826 |
| PolarSurfaceArea | 187 |
| Druglikeness | 4.2967 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 1,3-diamino-aryl; imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetricatoms | 9 |
| Amides | 2 |
| Amines | 2 |
| Aromatic Amines | 2 |
| StereoCon |
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1 - [(Z)-[2,4-diamino-5-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea | 2 - [(Z)-[2,4-diamino-5-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea
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