2,4-dichloro-N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]benzamide
Formula:C24H16N4OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,4-dichloro-N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 2,4-dichloro-N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]benzamide |
| MolecularFormula | C24H16N4OCl2 |
| Smiles | N#Cc1c(Cn2c(cccc3)c3c(/C=N\NC(c(ccc(Cl)c3)c3Cl)=O)c2)cccc1 |
| InChI | InChI=1S/C24H16Cl2N4O/c25-19-9-10-21(22(26)11-19)24(31)29-28-13-18-15-30(23-8-4-3-7-20(18)23)14-17-6-2-1-5-16(17)12-27/h1-11,13,15H,14H2,(H,29,31) |
| InChIK | VRZGMIGIBVBAHE-UHFFFAOYSA-N |
| TotalMolweight | 447.324 |
| Molweight | 447.324 |
| MonoisotopicMass | 446.070115 |
| CLogP | 5.7789 |
| CLogS | -6.944 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 336.86 |
| Relative PSA | 0.16755 |
| PolarSurfaceArea | 70.18 |
| Druglikeness | 1.8795 |
| 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 | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2,4-dichloro-N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]benzamide | 2 - 2,4-dichloro-N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]benzamide
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