2-cyano-N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide
Formula:C19H14N4OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-cyano-N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-cyano-N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide |
| MolecularFormula | C19H14N4OCl2 |
| Smiles | N#CCC(N/N=C\c1cn(Cc(ccc(Cl)c2)c2Cl)c2c1cccc2)=O |
| InChI | InChI=1S/C19H14Cl2N4O/c20-15-6-5-13(17(21)9-15)11-25-12-14(10-23-24-19(26)7-8-22)16-3-1-2-4-18(16)25/h1-6,9-10,12H,7,11H2,(H,24,26) |
| InChIK | RNDMKHJDCHZBDY-UHFFFAOYSA-N |
| TotalMolweight | 385.253 |
| Molweight | 385.253 |
| MonoisotopicMass | 384.054465 |
| CLogP | 4.1995 |
| CLogS | -5.419 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 290.86 |
| Relative PSA | 0.19405 |
| PolarSurfaceArea | 70.18 |
| Druglikeness | -1.1409 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-cyano-N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide | 2 - 2-cyano-N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide
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