2-amino-1-[(Z)-benzylideneamino]-5-phenylpyrrole-3,4-dicarbonitrile
Formula:C19H13N5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-amino-1-[(Z)-benzylideneamino]-5-phenylpyrrole-3,4-dicarbonitrile is a drug-like molecule.
| MolName | 2-amino-1-[(Z)-benzylideneamino]-5-phenylpyrrole-3,4-dicarbonitrile |
| MolecularFormula | C19H13N5 |
| Smiles | Nc(n(c(-c1ccccc1)c1C#N)/N=C\c2ccccc2)c1C#N |
| InChI | InChI=1S/C19H13N5/c20-11-16-17(12-21)19(22)24(18(16)15-9-5-2-6-10-15)23-13-14-7-3-1-4-8-14/h1-10,13H,22H2 |
| InChIK | XNHOQZIJDHITDO-UHFFFAOYSA-N |
| TotalMolweight | 311.347 |
| Molweight | 311.347 |
| MonoisotopicMass | 311.117095 |
| CLogP | 3.2764 |
| CLogS | -8.309 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 258.68 |
| Relative PSA | 0.23492 |
| PolarSurfaceArea | 90.89 |
| Druglikeness | -0.32443 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-amino-1-[(Z)-benzylideneamino]-5-phenylpyrrole-3,4-dicarbonitrile | 2 - 2-amino-1-[(Z)-benzylideneamino]-5-phenylpyrrole-3,4-dicarbonitrile
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