(Z)-2-amino-3-(naphthalen-2-ylmethylideneamino)but-2-enedinitrile
Formula:C15H10N4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2-amino-3-(naphthalen-2-ylmethylideneamino)but-2-enedinitrile is a drug-like molecule.
| MolName | (Z)-2-amino-3-(naphthalen-2-ylmethylideneamino)but-2-enedinitrile |
| MolecularFormula | C15H10N4 |
| Smiles | N/C(/C#N)=C(/C#N)\N=C\c1cc2ccccc2cc1 |
| InChI | InChI=1S/C15H10N4/c16-8-14(18)15(9-17)19-10-11-5-6-12-3-1-2-4-13(12)7-11/h1-7,10H,18H2 |
| InChIK | YPUHMTVMJRKLPL-UHFFFAOYSA-N |
| TotalMolweight | 246.272 |
| Molweight | 246.272 |
| MonoisotopicMass | 246.090546 |
| CLogP | 2.6633 |
| CLogS | -4.955 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 207.48 |
| Relative PSA | 0.25978 |
| PolarSurfaceArea | 85.96 |
| Druglikeness | -5.5099 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - (Z)-2-amino-3-(naphthalen-2-ylmethylideneamino)but-2-enedinitrile | 2 - (Z)-2-amino-3-(naphthalen-2-ylmethylideneamino)but-2-enedinitrile
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