3-chloro-N-[(Z)-[4-(1,3-dihydroisoindol-2-yl)phenyl]methylideneamino]benzamide
Formula:C22H18N3OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-chloro-N-[(Z)-[4-(1,3-dihydroisoindol-2-yl)phenyl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 3-chloro-N-[(Z)-[4-(1,3-dihydroisoindol-2-yl)phenyl]methylideneamino]benzamide |
| MolecularFormula | C22H18N3OCl |
| Smiles | O=C(c1cccc(Cl)c1)N/N=C\c(cc1)ccc1N(C1)Cc2c1cccc2 |
| InChI | InChI=1S/C22H18ClN3O/c23-20-7-3-6-17(12-20)22(27)25-24-13-16-8-10-21(11-9-16)26-14-18-4-1-2-5-19(18)15-26/h1-13H,14-15H2,(H,25,27) |
| InChIK | WDEAIYNAGXFOMM-UHFFFAOYSA-N |
| TotalMolweight | 375.858 |
| Molweight | 375.858 |
| MonoisotopicMass | 375.113839 |
| CLogP | 4.296 |
| CLogS | -6.053 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 286.49 |
| Relative PSA | 0.13809 |
| PolarSurfaceArea | 44.7 |
| Druglikeness | 6.2272 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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