N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]pyridine-3-carboxamide
Formula:C22H16N4OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C22H16N4OCl2 |
| Smiles | O=C(c1cnccc1)N/N=C\c1cn(Cc(cc2)cc(Cl)c2Cl)c2c1cccc2 |
| InChI | InChI=1S/C22H16Cl2N4O/c23-19-8-7-15(10-20(19)24)13-28-14-17(18-5-1-2-6-21(18)28)12-26-27-22(29)16-4-3-9-25-11-16/h1-12,14H,13H2,(H,27,29) |
| InChIK | ACSATNDSQBEUCM-UHFFFAOYSA-N |
| TotalMolweight | 423.302 |
| Molweight | 423.302 |
| MonoisotopicMass | 422.070115 |
| CLogP | 4.9424 |
| CLogS | -5.376 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 313.91 |
| Relative PSA | 0.17155 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | 6.1595 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]pyridine-3-carboxamide | 2 - N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]pyridine-3-carboxamide
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