2-nitro-N-[(Z)-[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]aniline
Formula:C22H19N5O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-nitro-N-[(Z)-[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]aniline is not a drug-like molecule.
| MolName | 2-nitro-N-[(Z)-[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]aniline |
| MolecularFormula | C22H19N5O2 |
| Smiles | [O-][N+](c(cccc1)c1N/N=C\c(cc1)ccc1N(CC1)N=C1c1ccccc1)=O |
| InChI | InChI=1S/C22H19N5O2/c28-27(29)22-9-5-4-8-21(22)24-23-16-17-10-12-19(13-11-17)26-15-14-20(25-26)18-6-2-1-3-7-18/h1-13,16,24H,14-15H2 |
| InChIK | WJSYCRIHVQLLNP-UHFFFAOYSA-N |
| TotalMolweight | 385.426 |
| Molweight | 385.426 |
| MonoisotopicMass | 385.153875 |
| CLogP | 5.8655 |
| CLogS | -5.448 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 299.96 |
| Relative PSA | 0.2282 |
| PolarSurfaceArea | 85.81 |
| Druglikeness | -0.60917 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-nitro-N-[(Z)-[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]aniline | 2 - 2-nitro-N-[(Z)-[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]aniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off