[(E)-[(4-bromophenyl)-morpholin-4-ylmethylidene]amino] benzoate
Formula:C18H17N2O3Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[(4-bromophenyl)-morpholin-4-ylmethylidene]amino] benzoate is a drug-like molecule.
| MolName | [(E)-[(4-bromophenyl)-morpholin-4-ylmethylidene]amino] benzoate |
| MolecularFormula | C18H17N2O3Br |
| Smiles | O=C(c1ccccc1)O/N=C(\c(cc1)ccc1Br)/N1CCOCC1 |
| InChI | InChI=1S/C18H17BrN2O3/c19-16-8-6-14(7-9-16)17(21-10-12-23-13-11-21)20-24-18(22)15-4-2-1-3-5-15/h1-9H,10-13H2 |
| InChIK | PDICIGCBTUFUDQ-UHFFFAOYSA-N |
| TotalMolweight | 389.248 |
| Molweight | 389.248 |
| MonoisotopicMass | 388.042254 |
| CLogP | 4.3843 |
| CLogS | -3.991 |
| H Acceptors | 5 |
| TotalSurfaceArea | 264.21 |
| Relative PSA | 0.18205 |
| PolarSurfaceArea | 51.13 |
| Druglikeness | -2.4928 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| StereoCon |
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