(4-cyanophenyl) N-(4-cyanophenyl)benzenecarboximidate
Formula:C21H13N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4-cyanophenyl) N-(4-cyanophenyl)benzenecarboximidate is a drug-like molecule.
| MolName | (4-cyanophenyl) N-(4-cyanophenyl)benzenecarboximidate |
| MolecularFormula | C21H13N3O |
| Smiles | N#Cc(cc1)ccc1/N=C(\c1ccccc1)/Oc(cc1)ccc1C#N |
| InChI | InChI=1S/C21H13N3O/c22-14-16-6-10-19(11-7-16)24-21(18-4-2-1-3-5-18)25-20-12-8-17(15-23)9-13-20/h1-13H |
| InChIK | CHRNVUWHCUFYJB-UHFFFAOYSA-N |
| TotalMolweight | 323.354 |
| Molweight | 323.354 |
| MonoisotopicMass | 323.105862 |
| CLogP | 4.2018 |
| CLogS | -5.85 |
| H Acceptors | 4 |
| TotalSurfaceArea | 269.17 |
| Relative PSA | 0.18067 |
| PolarSurfaceArea | 69.17 |
| Druglikeness | -5.1277 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| StereoCon |
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