(Z)-N-[(Z)-(2-chlorophenyl)methylideneamino]-1-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]methanimine
Formula:C24H23N4O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-[(Z)-(2-chlorophenyl)methylideneamino]-1-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]methanimine is not a drug-like molecule.
| MolName | (Z)-N-[(Z)-(2-chlorophenyl)methylideneamino]-1-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]methanimine |
| MolecularFormula | C24H23N4O3Cl |
| Smiles | [O-][N+](c1cccc(/C=C(\CC2)/C(N3CCOCC3)=C2/C=N\N=C/c(cccc2)c2Cl)c1)=O |
| InChI | InChI=1S/C24H23ClN4O3/c25-23-7-2-1-5-20(23)16-26-27-17-21-9-8-19(24(21)28-10-12-32-13-11-28)14-18-4-3-6-22(15-18)29(30)31/h1-7,14-17H,8-13H2 |
| InChIK | CBSRYMOXDAVRGN-UHFFFAOYSA-N |
| TotalMolweight | 450.925 |
| Molweight | 450.925 |
| MonoisotopicMass | 450.145868 |
| CLogP | 5.0495 |
| CLogS | -5.894 |
| H Acceptors | 7 |
| TotalSurfaceArea | 345.12 |
| Relative PSA | 0.19411 |
| PolarSurfaceArea | 83.01 |
| Druglikeness | -2.2367 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-N-[(Z)-(2-chlorophenyl)methylideneamino]-1-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]methanimine | 2 - (Z)-N-[(Z)-(2-chlorophenyl)methylideneamino]-1-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]methanimine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off