N-[(Z)-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]methylideneamino]aniline
Formula:C23H24N4O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]methylideneamino]aniline is a drug-like molecule.
| MolName | N-[(Z)-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]methylideneamino]aniline |
| MolecularFormula | C23H24N4O3 |
| Smiles | [O-][N+](c1cc(/C=C(\CC2)/C(N3CCOCC3)=C2/C=N\Nc2ccccc2)ccc1)=O |
| InChI | InChI=1S/C23H24N4O3/c28-27(29)22-8-4-5-18(16-22)15-19-9-10-20(23(19)26-11-13-30-14-12-26)17-24-25-21-6-2-1-3-7-21/h1-8,15-17,25H,9-14H2 |
| InChIK | NISKRIREXXWCNM-UHFFFAOYSA-N |
| TotalMolweight | 404.469 |
| Molweight | 404.469 |
| MonoisotopicMass | 404.184841 |
| CLogP | 4.4988 |
| CLogS | -4.175 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 316.4 |
| Relative PSA | 0.21157 |
| PolarSurfaceArea | 82.68 |
| Druglikeness | -2.015 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]methylideneamino]aniline | 2 - N-[(Z)-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]methylideneamino]aniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off