[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]urea
Formula:C10H10N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]urea is a drug-like molecule.
| MolName | [(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]urea |
| MolecularFormula | C10H10N4O3 |
| Smiles | NC(N/N=C\C=C\c(cccc1)c1[N+]([O-])=O)=O |
| InChI | InChI=1S/C10H10N4O3/c11-10(15)13-12-7-3-5-8-4-1-2-6-9(8)14(16)17/h1-7H,(H3,11,13,15) |
| InChIK | FCQCVAVSLQTYTN-UHFFFAOYSA-N |
| TotalMolweight | 234.214 |
| Molweight | 234.214 |
| MonoisotopicMass | 234.075291 |
| CLogP | 0.232 |
| CLogS | -3.566 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 185.92 |
| Relative PSA | 0.43944 |
| PolarSurfaceArea | 113.3 |
| Druglikeness | -0.84434 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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