[(E)-(2-oxo-1,2-diphenylethylidene)amino] N-(3-chlorophenyl)carbamate
Formula:C21H15N2O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-(2-oxo-1,2-diphenylethylidene)amino] N-(3-chlorophenyl)carbamate is not a drug-like molecule.
| MolName | [(E)-(2-oxo-1,2-diphenylethylidene)amino] N-(3-chlorophenyl)carbamate |
| MolecularFormula | C21H15N2O3Cl |
| Smiles | O=C(/C(/c1ccccc1)=N/OC(Nc1cccc(Cl)c1)=O)c1ccccc1 |
| InChI | InChI=1S/C21H15ClN2O3/c22-17-12-7-13-18(14-17)23-21(26)27-24-19(15-8-3-1-4-9-15)20(25)16-10-5-2-6-11-16/h1-14H,(H,23,26) |
| InChIK | WXYWFNZYJNUQFC-UHFFFAOYSA-N |
| TotalMolweight | 378.814 |
| Molweight | 378.814 |
| MonoisotopicMass | 378.07712 |
| CLogP | 5.0095 |
| CLogS | -6.699 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 288.13 |
| Relative PSA | 0.20494 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | -4.3795 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - [(E)-(2-oxo-1,2-diphenylethylidene)amino] N-(3-chlorophenyl)carbamate | 2 - [(E)-(2-oxo-1,2-diphenylethylidene)amino] N-(3-chlorophenyl)carbamate
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