[(Z)-phenanthridin-6-ylmethylideneamino]thiourea
Formula:C15H12N4S
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
[(Z)-phenanthridin-6-ylmethylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-phenanthridin-6-ylmethylideneamino]thiourea |
| MolecularFormula | C15H12N4S |
| Smiles | NC(N/N=C\c1nc2ccccc2c2ccccc12)=S |
| InChI | InChI=1S/C15H12N4S/c16-15(20)19-17-9-14-12-7-2-1-5-10(12)11-6-3-4-8-13(11)18-14/h1-9H,(H3,16,19,20) |
| InChIK | PZMNNYQWIBEDJV-UHFFFAOYSA-N |
| TotalMolweight | 280.354 |
| Molweight | 280.354 |
| MonoisotopicMass | 280.078266 |
| CLogP | 3.0964 |
| CLogS | -5.234 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 218.67 |
| Relative PSA | 0.35309 |
| PolarSurfaceArea | 95.39 |
| Druglikeness | 2.2769 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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