(NE)-N-(7-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene)hydroxylamine
Formula:C11H12NOBr
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(NE)-N-(7-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene)hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-(7-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene)hydroxylamine |
| MolecularFormula | C11H12NOBr |
| Smiles | O/N=C(\C1C2C3C4C5C1C3)/C5C2C4Br |
| InChI | InChI=1S/C11H12BrNO/c12-10-6-2-1-3-4(6)9-8(10)5(2)7(3)11(9)13-14/h2-10,14H,1H2 |
| InChIK | FLIVZDHPXLXDIL-UHFFFAOYSA-N |
| TotalMolweight | 254.126 |
| Molweight | 254.126 |
| MonoisotopicMass | 253.010225 |
| CLogP | 2.3366 |
| CLogS | -3.46 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 120.21 |
| Relative PSA | 0.20473 |
| PolarSurfaceArea | 32.59 |
| Druglikeness | -4.5852 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | sec./tert. alkyl-bromide/iodide |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 9 |
| Rings Closures | 5 |
| Small Rings | 12 |
| Sp3Atoms | 11 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (NE)-N-(7-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene)hydroxylamine | 2 - (NE)-N-(7-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene)hydroxylamine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off