[(Z)-[3-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)pyridin-2-yl]methylideneamino]thiourea
Formula:C14H10N4ClF3S2
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
[(Z)-[3-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)pyridin-2-yl]methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-[3-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)pyridin-2-yl]methylideneamino]thiourea |
| MolecularFormula | C14H10N4ClF3S2 |
| Smiles | NC(N/N=C\c(ncc(C(F)(F)F)c1)c1Sc(cc1)ccc1Cl)=S |
| InChI | InChI=1S/C14H10ClF3N4S2/c15-9-1-3-10(4-2-9)24-12-5-8(14(16,17)18)6-20-11(12)7-21-22-13(19)23/h1-7H,(H3,19,22,23) |
| InChIK | SFILBKXSGXEHLQ-UHFFFAOYSA-N |
| TotalMolweight | 390.84 |
| Molweight | 390.84 |
| MonoisotopicMass | 389.998747 |
| CLogP | 3.8605 |
| CLogS | -5.427 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 271.6 |
| Relative PSA | 0.34867 |
| PolarSurfaceArea | 120.69 |
| Druglikeness | -4.5628 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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