[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]urea
Formula:C8H7N4O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]urea is a drug-like molecule.
| MolName | [(Z)-(4-chloro-3-nitrophenyl)methylideneamino]urea |
| MolecularFormula | C8H7N4O3Cl |
| Smiles | NC(N/N=C\c(cc1)cc([N+]([O-])=O)c1Cl)=O |
| InChI | InChI=1S/C8H7ClN4O3/c9-6-2-1-5(3-7(6)13(15)16)4-11-12-8(10)14/h1-4H,(H3,10,12,14) |
| InChIK | AZRGXWOJBFHMQW-UHFFFAOYSA-N |
| TotalMolweight | 242.622 |
| Molweight | 242.622 |
| MonoisotopicMass | 242.020668 |
| CLogP | 0.8197 |
| CLogS | -4.01 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 174.84 |
| Relative PSA | 0.46728 |
| PolarSurfaceArea | 113.3 |
| Druglikeness | -0.8695 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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