[(Z)-[5-nitro-2-(2-phenoxyethoxy)phenyl]methylideneamino]thiourea
Formula:C16H16N4O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[5-nitro-2-(2-phenoxyethoxy)phenyl]methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-[5-nitro-2-(2-phenoxyethoxy)phenyl]methylideneamino]thiourea |
| MolecularFormula | C16H16N4O4S |
| Smiles | NC(N/N=C\c(cc(cc1)[N+]([O-])=O)c1OCCOc1ccccc1)=S |
| InChI | InChI=1S/C16H16N4O4S/c17-16(25)19-18-11-12-10-13(20(21)22)6-7-15(12)24-9-8-23-14-4-2-1-3-5-14/h1-7,10-11H,8-9H2,(H3,17,19,25) |
| InChIK | SGFRXCPDEMMQKB-UHFFFAOYSA-N |
| TotalMolweight | 360.393 |
| Molweight | 360.393 |
| MonoisotopicMass | 360.089226 |
| CLogP | 1.9654 |
| CLogS | -4.626 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 281.66 |
| Relative PSA | 0.41419 |
| PolarSurfaceArea | 146.78 |
| Druglikeness | -10.198 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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