1-[(E)-1H-naphthalen-2-ylideneamino]-3-[(Z)-1H-naphthalen-2-ylideneamino]thiourea
Formula:C21H18N4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
1-[(E)-1H-naphthalen-2-ylideneamino]-3-[(Z)-1H-naphthalen-2-ylideneamino]thiourea is a drug-like molecule.
| MolName | 1-[(E)-1H-naphthalen-2-ylideneamino]-3-[(Z)-1H-naphthalen-2-ylideneamino]thiourea |
| MolecularFormula | C21H18N4S |
| Smiles | S=C(N/N=C(\C1)/C=Cc2c1cccc2)N/N=C(/C1)\C=Cc2c1cccc2 |
| InChI | InChI=1S/C21H18N4S/c26-21(24-22-19-11-9-15-5-1-3-7-17(15)13-19)25-23-20-12-10-16-6-2-4-8-18(16)14-20/h1-12H,13-14H2,(H2,24,25,26) |
| InChIK | NVRNVDLEMWZIJG-UHFFFAOYSA-N |
| TotalMolweight | 358.468 |
| Molweight | 358.468 |
| MonoisotopicMass | 358.125216 |
| CLogP | 4.6893 |
| CLogS | -6.024 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 288.11 |
| Relative PSA | 0.25664 |
| PolarSurfaceArea | 80.87 |
| Druglikeness | 1.431 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| StereoCon |
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1 - 1-[(E)-1H-naphthalen-2-ylideneamino]-3-[(Z)-1H-naphthalen-2-ylideneamino]thiourea | 2 - 1-[(E)-1H-naphthalen-2-ylideneamino]-3-[(Z)-1H-naphthalen-2-ylideneamino]thiourea
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