(NZ)-N-[(4E,6E)-4,6-bis(hydroxyimino)-1-phenyl-2-adamantylidene]hydroxylamine
Formula:C16H17N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[(4E,6E)-4,6-bis(hydroxyimino)-1-phenyl-2-adamantylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[(4E,6E)-4,6-bis(hydroxyimino)-1-phenyl-2-adamantylidene]hydroxylamine |
| MolecularFormula | C16H17N3O3 |
| Smiles | O/N=C(\C(CC1/C2=N/O)CC2(C2)c3ccccc3)/C2/C1=N\O |
| InChI | InChI=1S/C16H17N3O3/c20-17-13-9-6-11-14(18-21)12(13)8-16(7-9,15(11)19-22)10-4-2-1-3-5-10/h1-5,9,11-12,20-22H,6-8H2 |
| InChIK | TVUDTBXYAJWSFW-UHFFFAOYSA-N |
| TotalMolweight | 299.329 |
| Molweight | 299.329 |
| MonoisotopicMass | 299.126992 |
| CLogP | 3.5289 |
| CLogS | -4.405 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 209.91 |
| Relative PSA | 0.35172 |
| PolarSurfaceArea | 97.77 |
| Druglikeness | -0.7252 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 2 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (NZ)-N-[(4E,6E)-4,6-bis(hydroxyimino)-1-phenyl-2-adamantylidene]hydroxylamine | 2 - (NZ)-N-[(4E,6E)-4,6-bis(hydroxyimino)-1-phenyl-2-adamantylidene]hydroxylamine
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