[(Z)-[(1-hydroxycyclohexyl)-phenylmethylidene]amino]thiourea
Formula:C14H19N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[(1-hydroxycyclohexyl)-phenylmethylidene]amino]thiourea is a drug-like molecule.
| MolName | [(Z)-[(1-hydroxycyclohexyl)-phenylmethylidene]amino]thiourea |
| MolecularFormula | C14H19N3OS |
| Smiles | NC(N/N=C(\C1(CCCCC1)O)/c1ccccc1)=S |
| InChI | InChI=1S/C14H19N3OS/c15-13(19)17-16-12(11-7-3-1-4-8-11)14(18)9-5-2-6-10-14/h1,3-4,7-8,18H,2,5-6,9-10H2,(H3,15,17,19) |
| InChIK | PLALOJAKNORMGR-UHFFFAOYSA-N |
| TotalMolweight | 277.391 |
| Molweight | 277.391 |
| MonoisotopicMass | 277.124882 |
| CLogP | 1.9906 |
| CLogS | -4.134 |
| H Acceptors | 4 |
| H Donors | 3 |
| TotalSurfaceArea | 220.98 |
| Relative PSA | 0.35904 |
| PolarSurfaceArea | 102.73 |
| Druglikeness | -1.5659 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.47368 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - [(Z)-[(1-hydroxycyclohexyl)-phenylmethylidene]amino]thiourea | 2 - [(Z)-[(1-hydroxycyclohexyl)-phenylmethylidene]amino]thiourea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off