[(Z)-2-[1-(4-phenylphenyl)tetrazol-5-yl]ethylideneamino]thiourea
Formula:C16H15N7S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-2-[1-(4-phenylphenyl)tetrazol-5-yl]ethylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-2-[1-(4-phenylphenyl)tetrazol-5-yl]ethylideneamino]thiourea |
| MolecularFormula | C16H15N7S |
| Smiles | NC(N/N=C\Cc1nnnn1-c(cc1)ccc1-c1ccccc1)=S |
| InChI | InChI=1S/C16H15N7S/c17-16(24)20-18-11-10-15-19-21-22-23(15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,11H,10H2,(H3,17,20,24) |
| InChIK | WSVNKFIBYBFHNO-UHFFFAOYSA-N |
| TotalMolweight | 337.41 |
| Molweight | 337.41 |
| MonoisotopicMass | 337.110963 |
| CLogP | 1.6665 |
| CLogS | -4.454 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 269.47 |
| Relative PSA | 0.39344 |
| PolarSurfaceArea | 126.1 |
| Druglikeness | 1.7564 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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