N-[(Z)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]aniline
Formula:C18H14N4OS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]aniline is not a drug-like molecule.
| MolName | N-[(Z)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]aniline |
| MolecularFormula | C18H14N4OS |
| Smiles | C(c(o1)ccc1Sc1nc(cccc2)c2[nH]1)=N\Nc1ccccc1 |
| InChI | InChI=1S/C18H14N4OS/c1-2-6-13(7-3-1)22-19-12-14-10-11-17(23-14)24-18-20-15-8-4-5-9-16(15)21-18/h1-12,22H,(H,20,21) |
| InChIK | XATOVLJBXUOQFK-UHFFFAOYSA-N |
| TotalMolweight | 334.402 |
| Molweight | 334.402 |
| MonoisotopicMass | 334.088831 |
| CLogP | 5.7898 |
| CLogS | -4.36 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 259.11 |
| Relative PSA | 0.30694 |
| PolarSurfaceArea | 91.51 |
| Druglikeness | 4.8029 |
| Mutagenic | high |
| 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 | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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