(Z)-2-amino-3-[(5-nitro-2-pyridin-2-ylsulfanylphenyl)methylideneamino]but-2-enedinitrile
Formula:C16H10N6O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2-amino-3-[(5-nitro-2-pyridin-2-ylsulfanylphenyl)methylideneamino]but-2-enedinitrile is a drug-like molecule.
| MolName | (Z)-2-amino-3-[(5-nitro-2-pyridin-2-ylsulfanylphenyl)methylideneamino]but-2-enedinitrile |
| MolecularFormula | C16H10N6O2S |
| Smiles | N/C(/C#N)=C(/C#N)\N=C\c(cc(cc1)[N+]([O-])=O)c1Sc1ncccc1 |
| InChI | InChI=1S/C16H10N6O2S/c17-8-13(19)14(9-18)21-10-11-7-12(22(23)24)4-5-15(11)25-16-3-1-2-6-20-16/h1-7,10H,19H2 |
| InChIK | MYKQUDVIHUCYSL-UHFFFAOYSA-N |
| TotalMolweight | 350.361 |
| Molweight | 350.361 |
| MonoisotopicMass | 350.058594 |
| CLogP | -0.4858 |
| CLogS | -4.563 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 272.56 |
| Relative PSA | 0.41378 |
| PolarSurfaceArea | 169.97 |
| Druglikeness | -10.194 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (Z)-2-amino-3-[(5-nitro-2-pyridin-2-ylsulfanylphenyl)methylideneamino]but-2-enedinitrile | 2 - (Z)-2-amino-3-[(5-nitro-2-pyridin-2-ylsulfanylphenyl)methylideneamino]but-2-enedinitrile
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