1-[(Z)-(4-phenylphenyl)methylideneamino]-3-pyridin-3-ylthiourea
Formula:C19H16N4S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-[(Z)-(4-phenylphenyl)methylideneamino]-3-pyridin-3-ylthiourea is a drug-like molecule.
| MolName | 1-[(Z)-(4-phenylphenyl)methylideneamino]-3-pyridin-3-ylthiourea |
| MolecularFormula | C19H16N4S |
| Smiles | S=C(Nc1cnccc1)N/N=C\c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C19H16N4S/c24-19(22-18-7-4-12-20-14-18)23-21-13-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-14H,(H2,22,23,24) |
| InChIK | GRYLXYHTPDTCOV-UHFFFAOYSA-N |
| TotalMolweight | 332.43 |
| Molweight | 332.43 |
| MonoisotopicMass | 332.109566 |
| CLogP | 4.2505 |
| CLogS | -5.612 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 271.93 |
| Relative PSA | 0.26992 |
| PolarSurfaceArea | 81.4 |
| Druglikeness | 2.2325 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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