[(Z)-[3-(2-phenylethoxy)phenyl]methylideneamino]thiourea
Formula:C16H17N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[3-(2-phenylethoxy)phenyl]methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-[3-(2-phenylethoxy)phenyl]methylideneamino]thiourea |
| MolecularFormula | C16H17N3OS |
| Smiles | NC(N/N=C\c1cc(OCCc2ccccc2)ccc1)=S |
| InChI | InChI=1S/C16H17N3OS/c17-16(21)19-18-12-14-7-4-8-15(11-14)20-10-9-13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H3,17,19,21) |
| InChIK | VJZSHIQNENLZDM-UHFFFAOYSA-N |
| TotalMolweight | 299.397 |
| Molweight | 299.397 |
| MonoisotopicMass | 299.109232 |
| CLogP | 3.3102 |
| CLogS | -4.351 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 247.99 |
| Relative PSA | 0.30743 |
| PolarSurfaceArea | 91.73 |
| Druglikeness | 1.4626 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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