(Z)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1,1-diphenylmethanimine
Formula:C21H15N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1,1-diphenylmethanimine is not a drug-like molecule.
| MolName | (Z)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1,1-diphenylmethanimine |
| MolecularFormula | C21H15N3O4 |
| Smiles | [O-][N+](c1c(/C=N\N=C(c2ccccc2)c2ccccc2)cc2OCOc2c1)=O |
| InChI | InChI=1S/C21H15N3O4/c25-24(26)18-12-20-19(27-14-28-20)11-17(18)13-22-23-21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13H,14H2 |
| InChIK | URPZVKOJAPHCFH-UHFFFAOYSA-N |
| TotalMolweight | 373.367 |
| Molweight | 373.367 |
| MonoisotopicMass | 373.106257 |
| CLogP | 5.1721 |
| CLogS | -7.079 |
| H Acceptors | 7 |
| TotalSurfaceArea | 284.44 |
| Relative PSA | 0.25819 |
| PolarSurfaceArea | 89 |
| Druglikeness | -3.7225 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 8 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1,1-diphenylmethanimine | 2 - (Z)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1,1-diphenylmethanimine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off