(2Z,3Z)-2,3-bis[amino(phenylsulfanyl)methylidene]butanedinitrile
Formula:C18H14N4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z,3Z)-2,3-bis[amino(phenylsulfanyl)methylidene]butanedinitrile is a drug-like molecule.
| MolName | (2Z,3Z)-2,3-bis[amino(phenylsulfanyl)methylidene]butanedinitrile |
| MolecularFormula | C18H14N4S2 |
| Smiles | N/C(/Sc1ccccc1)=C(\C(\C#N)=C(/N)\Sc1ccccc1)/C#N |
| InChI | InChI=1S/C18H14N4S2/c19-11-15(17(21)23-13-7-3-1-4-8-13)16(12-20)18(22)24-14-9-5-2-6-10-14/h1-10H,21-22H2 |
| InChIK | BDLRGKKVJJEYLC-UHFFFAOYSA-N |
| TotalMolweight | 350.469 |
| Molweight | 350.469 |
| MonoisotopicMass | 350.065986 |
| CLogP | 3.4098 |
| CLogS | -5.79 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 274.3 |
| Relative PSA | 0.33773 |
| PolarSurfaceArea | 150.22 |
| Druglikeness | -4.4615 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 14 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - (2Z,3Z)-2,3-bis[amino(phenylsulfanyl)methylidene]butanedinitrile | 2 - (2Z,3Z)-2,3-bis[amino(phenylsulfanyl)methylidene]butanedinitrile
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