[(Z)-[3-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]thiourea
Formula:C15H14N3OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[3-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-[3-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]thiourea |
| MolecularFormula | C15H14N3OClS |
| Smiles | NC(N/N=C\c1cccc(OCc2cccc(Cl)c2)c1)=S |
| InChI | InChI=1S/C15H14ClN3OS/c16-13-5-1-4-12(7-13)10-20-14-6-2-3-11(8-14)9-18-19-15(17)21/h1-9H,10H2,(H3,17,19,21) |
| InChIK | OLMMEPGIOHNQAE-UHFFFAOYSA-N |
| TotalMolweight | 319.815 |
| Molweight | 319.815 |
| MonoisotopicMass | 319.054609 |
| CLogP | 3.4861 |
| CLogS | -4.975 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 249.65 |
| Relative PSA | 0.30539 |
| PolarSurfaceArea | 91.73 |
| Druglikeness | 1.861 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| StereoCon |
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