(9E)-N-(4-bromophenyl)-9-hydroxyiminofluorene-4-carboxamide
Formula:C20H13N2O2Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(9E)-N-(4-bromophenyl)-9-hydroxyiminofluorene-4-carboxamide is not a drug-like molecule.
| MolName | (9E)-N-(4-bromophenyl)-9-hydroxyiminofluorene-4-carboxamide |
| MolecularFormula | C20H13N2O2Br |
| Smiles | O/N=C1/c2cccc(C(Nc(cc3)ccc3Br)=O)c2-c2c1cccc2 |
| InChI | InChI=1S/C20H13BrN2O2/c21-12-8-10-13(11-9-12)22-20(24)17-7-3-6-16-18(17)14-4-1-2-5-15(14)19(16)23-25/h1-11,25H,(H,22,24) |
| InChIK | VAPGFBJTSZUUNW-UHFFFAOYSA-N |
| TotalMolweight | 393.239 |
| Molweight | 393.239 |
| MonoisotopicMass | 392.016039 |
| CLogP | 5.67 |
| CLogS | -7.437 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 256.44 |
| Relative PSA | 0.19151 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | -0.97533 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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