[(E)-(2-oxo-1-phenylindol-3-ylidene)amino] N-(3,5-dichlorophenyl)carbamate
Formula:C21H13N3O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-(2-oxo-1-phenylindol-3-ylidene)amino] N-(3,5-dichlorophenyl)carbamate is not a drug-like molecule.
| MolName | [(E)-(2-oxo-1-phenylindol-3-ylidene)amino] N-(3,5-dichlorophenyl)carbamate |
| MolecularFormula | C21H13N3O3Cl2 |
| Smiles | O=C(Nc1cc(Cl)cc(Cl)c1)O/N=C(\c(cccc1)c1N1c2ccccc2)/C1=O |
| InChI | InChI=1S/C21H13Cl2N3O3/c22-13-10-14(23)12-15(11-13)24-21(28)29-25-19-17-8-4-5-9-18(17)26(20(19)27)16-6-2-1-3-7-16/h1-12H,(H,24,28) |
| InChIK | MHMYVXNUSPQEHZ-UHFFFAOYSA-N |
| TotalMolweight | 426.258 |
| Molweight | 426.258 |
| MonoisotopicMass | 425.033396 |
| CLogP | 5.924 |
| CLogS | -8.003 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 300.35 |
| Relative PSA | 0.20842 |
| PolarSurfaceArea | 71 |
| Druglikeness | -2.5392 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Amides | 2 |
| StereoCon |
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