[(E)-6,7-dihydro-5H-1-benzofuran-4-ylideneamino] N-(2,6-dichlorobenzoyl)carbamate
Formula:C16H12N2O4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-6,7-dihydro-5H-1-benzofuran-4-ylideneamino] N-(2,6-dichlorobenzoyl)carbamate is a drug-like molecule.
| MolName | [(E)-6,7-dihydro-5H-1-benzofuran-4-ylideneamino] N-(2,6-dichlorobenzoyl)carbamate |
| MolecularFormula | C16H12N2O4Cl2 |
| Smiles | O=C(c(c(Cl)ccc1)c1Cl)NC(O/N=C(\CCC1)/c2c1occ2)=O |
| InChI | InChI=1S/C16H12Cl2N2O4/c17-10-3-1-4-11(18)14(10)15(21)19-16(22)24-20-12-5-2-6-13-9(12)7-8-23-13/h1,3-4,7-8H,2,5-6H2,(H,19,21,22) |
| InChIK | LNFTUCQCVSPOBM-UHFFFAOYSA-N |
| TotalMolweight | 367.187 |
| Molweight | 367.187 |
| MonoisotopicMass | 366.017412 |
| CLogP | 4.7772 |
| CLogS | -6.335 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 261.26 |
| Relative PSA | 0.28003 |
| PolarSurfaceArea | 80.9 |
| Druglikeness | -11.82 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - [(E)-6,7-dihydro-5H-1-benzofuran-4-ylideneamino] N-(2,6-dichlorobenzoyl)carbamate | 2 - [(E)-6,7-dihydro-5H-1-benzofuran-4-ylideneamino] N-(2,6-dichlorobenzoyl)carbamate
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