5-nitro-N-[(Z)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]pyridin-2-amine
Formula:C14H10N4O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-nitro-N-[(Z)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]pyridin-2-amine is not a drug-like molecule.
| MolName | 5-nitro-N-[(Z)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]pyridin-2-amine |
| MolecularFormula | C14H10N4O2S2 |
| Smiles | [O-][N+](c(cc1)cnc1N/N=C\c1ccc(-c2cccs2)s1)=O |
| InChI | InChI=1S/C14H10N4O2S2/c19-18(20)10-3-6-14(15-8-10)17-16-9-11-4-5-13(22-11)12-2-1-7-21-12/h1-9H,(H,15,17) |
| InChIK | XDRGLXMDXCLMDW-UHFFFAOYSA-N |
| TotalMolweight | 330.391 |
| Molweight | 330.391 |
| MonoisotopicMass | 330.024516 |
| CLogP | 5.0582 |
| CLogS | -5.377 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 243.31 |
| Relative PSA | 0.43188 |
| PolarSurfaceArea | 139.58 |
| Druglikeness | -0.8725 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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