N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]thiophene-2-carboxamide
Formula:C21H15N3OCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]thiophene-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]thiophene-2-carboxamide |
| MolecularFormula | C21H15N3OCl2S |
| Smiles | O=C(c1cccs1)N/N=C\c1cn(Cc(cc2)cc(Cl)c2Cl)c2c1cccc2 |
| InChI | InChI=1S/C21H15Cl2N3OS/c22-17-8-7-14(10-18(17)23)12-26-13-15(16-4-1-2-5-19(16)26)11-24-25-21(27)20-6-3-9-28-20/h1-11,13H,12H2,(H,25,27) |
| InChIK | UCWNACWGSRQFGF-UHFFFAOYSA-N |
| TotalMolweight | 428.342 |
| Molweight | 428.342 |
| MonoisotopicMass | 427.031286 |
| CLogP | 5.8099 |
| CLogS | -6.181 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 311.09 |
| Relative PSA | 0.20329 |
| PolarSurfaceArea | 74.63 |
| Druglikeness | 7.6365 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]thiophene-2-carboxamide | 2 - N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]thiophene-2-carboxamide
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