N-[(Z)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]-1,3-benzodioxole-5-carboxamide
Formula:C24H18N3O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]-1,3-benzodioxole-5-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]-1,3-benzodioxole-5-carboxamide |
| MolecularFormula | C24H18N3O3Cl |
| Smiles | O=C(c(cc1)cc2c1OCO2)N/N=C\c1cn(Cc(cccc2)c2Cl)c2c1cccc2 |
| InChI | InChI=1S/C24H18ClN3O3/c25-20-7-3-1-5-17(20)13-28-14-18(19-6-2-4-8-21(19)28)12-26-27-24(29)16-9-10-22-23(11-16)31-15-30-22/h1-12,14H,13,15H2,(H,27,29) |
| InChIK | KBLTXGKGAVHOJH-UHFFFAOYSA-N |
| TotalMolweight | 431.878 |
| Molweight | 431.878 |
| MonoisotopicMass | 431.103669 |
| CLogP | 5.4487 |
| CLogS | -6.146 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 319.99 |
| Relative PSA | 0.19651 |
| PolarSurfaceArea | 64.85 |
| Druglikeness | 5.986 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]-1,3-benzodioxole-5-carboxamide | 2 - N-[(Z)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]-1,3-benzodioxole-5-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off