1-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine
Formula:C14H10N4Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine is a drug-like molecule.
| MolName | 1-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine |
| MolecularFormula | C14H10N4Cl2S |
| Smiles | Nc1nc(-c2cccs2)cn1/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C14H10Cl2N4S/c15-10-4-3-9(11(16)6-10)7-18-20-8-12(19-14(20)17)13-2-1-5-21-13/h1-8H,(H2,17,19) |
| InChIK | FEYZYUICUKTEHF-UHFFFAOYSA-N |
| TotalMolweight | 337.233 |
| Molweight | 337.233 |
| MonoisotopicMass | 336.00032 |
| CLogP | 4.2965 |
| CLogS | -7.693 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 240.8 |
| Relative PSA | 0.26985 |
| PolarSurfaceArea | 84.44 |
| Druglikeness | 5.6112 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 1-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine | 2 - 1-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine
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