3-chloro-N-[(Z)-[1-(2-phenoxyethyl)indol-3-yl]methylideneamino]benzamide
Formula:C24H20N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-chloro-N-[(Z)-[1-(2-phenoxyethyl)indol-3-yl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 3-chloro-N-[(Z)-[1-(2-phenoxyethyl)indol-3-yl]methylideneamino]benzamide |
| MolecularFormula | C24H20N3O2Cl |
| Smiles | O=C(c1cccc(Cl)c1)N/N=C\c1cn(CCOc2ccccc2)c2c1cccc2 |
| InChI | InChI=1S/C24H20ClN3O2/c25-20-8-6-7-18(15-20)24(29)27-26-16-19-17-28(23-12-5-4-11-22(19)23)13-14-30-21-9-2-1-3-10-21/h1-12,15-17H,13-14H2,(H,27,29) |
| InChIK | PGCCAUJISDYKQF-UHFFFAOYSA-N |
| TotalMolweight | 417.895 |
| Molweight | 417.895 |
| MonoisotopicMass | 417.124404 |
| CLogP | 5.2545 |
| CLogS | -5.6 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 323.49 |
| Relative PSA | 0.16347 |
| PolarSurfaceArea | 55.62 |
| Druglikeness | 6.295 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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