[(benzoyloxyamino)-(4-nitrophenyl)methylidene]-dicyclohexylazanium
Formula:C26H32N3O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(benzoyloxyamino)-(4-nitrophenyl)methylidene]-dicyclohexylazanium is a drug-like molecule.
| MolName | [(benzoyloxyamino)-(4-nitrophenyl)methylidene]-dicyclohexylazanium |
| MolecularFormula | C26H32N3O4 |
| Smiles | [O-][N+](c(cc1)ccc1C(NOC(c1ccccc1)=O)=[N+](C1CCCCC1)C1CCCCC1)=O |
| InChI | InChI=1S/C26H31N3O4/c30-26(21-10-4-1-5-11-21)33-27-25(20-16-18-24(19-17-20)29(31)32)28(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1,4-5,10-11,16-19,22-23H,2-3,6-9,12-15H2/p+1 |
| InChIK | FEUVVTKJCBNJEB-UHFFFAOYSA-O |
| TotalMolweight | 450.557 |
| Molweight | 450.557 |
| MonoisotopicMass | 450.239282 |
| CLogP | 2.3416 |
| CLogS | -6.424 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 344.51 |
| Relative PSA | 0.17335 |
| PolarSurfaceArea | 87.16 |
| Druglikeness | -13.968 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | tert. immonium; aromatic nitro; N-acyloxy-amide |
| Shape Index | 0.42424 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 14 |
| Symmetricatoms | 12 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(benzoyloxyamino)-(4-nitrophenyl)methylidene]-dicyclohexylazanium | 2 - [(benzoyloxyamino)-(4-nitrophenyl)methylidene]-dicyclohexylazanium
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off