N-[(E)-[2-[(2-chlorophenyl)methylsulfanyl]pyrimidin-4-yl]methylideneamino]aniline
Formula:C18H15N4ClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(E)-[2-[(2-chlorophenyl)methylsulfanyl]pyrimidin-4-yl]methylideneamino]aniline is not a drug-like molecule.
| MolName | N-[(E)-[2-[(2-chlorophenyl)methylsulfanyl]pyrimidin-4-yl]methylideneamino]aniline |
| MolecularFormula | C18H15N4ClS |
| Smiles | Clc1c(CSc2nc(/C=N/Nc3ccccc3)ccn2)cccc1 |
| InChI | InChI=1S/C18H15ClN4S/c19-17-9-5-4-6-14(17)13-24-18-20-11-10-16(22-18)12-21-23-15-7-2-1-3-8-15/h1-12,23H,13H2 |
| InChIK | CJCSENGEDLJLLF-UHFFFAOYSA-N |
| TotalMolweight | 354.864 |
| Molweight | 354.864 |
| MonoisotopicMass | 354.070593 |
| CLogP | 6.1412 |
| CLogS | -5.103 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 273.19 |
| Relative PSA | 0.22841 |
| PolarSurfaceArea | 75.47 |
| Druglikeness | 2.6332 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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