N-[(Z)-(2-cyclohexylidene-1-phenylethylidene)amino]-2,4-dinitroaniline
Formula:C20H20N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-(2-cyclohexylidene-1-phenylethylidene)amino]-2,4-dinitroaniline is a drug-like molecule.
| MolName | N-[(Z)-(2-cyclohexylidene-1-phenylethylidene)amino]-2,4-dinitroaniline |
| MolecularFormula | C20H20N4O4 |
| Smiles | [O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C(/C=C1CCCCC1)\c1ccccc1)=O |
| InChI | InChI=1S/C20H20N4O4/c25-23(26)17-11-12-18(20(14-17)24(27)28)21-22-19(16-9-5-2-6-10-16)13-15-7-3-1-4-8-15/h2,5-6,9-14,21H,1,3-4,7-8H2 |
| InChIK | WAFDKBRYFIWSNS-UHFFFAOYSA-N |
| TotalMolweight | 380.403 |
| Molweight | 380.403 |
| MonoisotopicMass | 380.148456 |
| CLogP | 4.6412 |
| CLogS | -5.761 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 294.8 |
| Relative PSA | 0.28429 |
| PolarSurfaceArea | 116.03 |
| Druglikeness | -8.7854 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2-cyclohexylidene-1-phenylethylidene)amino]-2,4-dinitroaniline | 2 - N-[(Z)-(2-cyclohexylidene-1-phenylethylidene)amino]-2,4-dinitroaniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off