[(Z)-[(4-nitrophenyl)-phenylmethylidene]amino]thiourea
Formula:C14H12N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[(4-nitrophenyl)-phenylmethylidene]amino]thiourea is a drug-like molecule.
| MolName | [(Z)-[(4-nitrophenyl)-phenylmethylidene]amino]thiourea |
| MolecularFormula | C14H12N4O2S |
| Smiles | NC(N/N=C(/c1ccccc1)\c(cc1)ccc1[N+]([O-])=O)=S |
| InChI | InChI=1S/C14H12N4O2S/c15-14(21)17-16-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)18(19)20/h1-9H,(H3,15,17,21) |
| InChIK | LMPGVFZOPLIOLX-UHFFFAOYSA-N |
| TotalMolweight | 300.341 |
| Molweight | 300.341 |
| MonoisotopicMass | 300.068096 |
| CLogP | 1.8071 |
| CLogS | -5.134 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 232.35 |
| Relative PSA | 0.41601 |
| PolarSurfaceArea | 128.32 |
| Druglikeness | -3.8757 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; thio-amide/urea |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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