N-[(Z)-(2-bromophenyl)methylideneamino]-9-hydroxyfluorene-9-carboxamide
Formula:C21H15N2O2Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(2-bromophenyl)methylideneamino]-9-hydroxyfluorene-9-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2-bromophenyl)methylideneamino]-9-hydroxyfluorene-9-carboxamide |
| MolecularFormula | C21H15N2O2Br |
| Smiles | OC1(C(N/N=C\c(cccc2)c2Br)=O)c(cccc2)c2-c2c1cccc2 |
| InChI | InChI=1S/C21H15BrN2O2/c22-19-12-6-1-7-14(19)13-23-24-20(25)21(26)17-10-4-2-8-15(17)16-9-3-5-11-18(16)21/h1-13,26H,(H,24,25) |
| InChIK | BPLXRLCLHRMVED-UHFFFAOYSA-N |
| TotalMolweight | 407.266 |
| Molweight | 407.266 |
| MonoisotopicMass | 406.031689 |
| CLogP | 4.434 |
| CLogS | -6.261 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 268.64 |
| Relative PSA | 0.18281 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 3.6483 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2-bromophenyl)methylideneamino]-9-hydroxyfluorene-9-carboxamide | 2 - N-[(Z)-(2-bromophenyl)methylideneamino]-9-hydroxyfluorene-9-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off