N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
Formula:C25H18N4O2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]-2-(2,4-dichlorophenoxy)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]-2-(2,4-dichlorophenoxy)acetamide |
| MolecularFormula | C25H18N4O2Cl2 |
| Smiles | N#Cc1c(Cn2c(cccc3)c3c(/C=N\NC(COc(ccc(Cl)c3)c3Cl)=O)c2)cccc1 |
| InChI | InChI=1S/C25H18Cl2N4O2/c26-20-9-10-24(22(27)11-20)33-16-25(32)30-29-13-19-15-31(23-8-4-3-7-21(19)23)14-18-6-2-1-5-17(18)12-28/h1-11,13,15H,14,16H2,(H,30,32) |
| InChIK | FGYIVEMXLYLSIN-UHFFFAOYSA-N |
| TotalMolweight | 477.35 |
| Molweight | 477.35 |
| MonoisotopicMass | 476.08068 |
| CLogP | 5.3538 |
| CLogS | -6.724 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 360.62 |
| Relative PSA | 0.18424 |
| PolarSurfaceArea | 79.41 |
| Druglikeness | 1.6785 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]-2-(2,4-dichlorophenoxy)acetamide | 2 - N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
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