N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]cyclopropanecarboxamide
Formula:C23H21N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]cyclopropanecarboxamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]cyclopropanecarboxamide |
| MolecularFormula | C23H21N3O |
| Smiles | O=C(C1CC1)N/N=C\c(cc1)ccc1N(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C23H21N3O/c27-23(19-13-14-19)25-24-17-18-11-15-22(16-12-18)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,15-17,19H,13-14H2,(H,25,27) |
| InChIK | BXMSGEGRFFZRHH-UHFFFAOYSA-N |
| TotalMolweight | 355.44 |
| Molweight | 355.44 |
| MonoisotopicMass | 355.168462 |
| CLogP | 4.6703 |
| CLogS | -7.243 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 283.57 |
| Relative PSA | 0.13951 |
| PolarSurfaceArea | 44.7 |
| Druglikeness | 6.2679 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 11 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]cyclopropanecarboxamide | 2 - N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]cyclopropanecarboxamide
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