(Z)-1-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-N-[(Z)-(2-nitrophenyl)methylideneamino]methanimine
Formula:C24H24N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-N-[(Z)-(2-nitrophenyl)methylideneamino]methanimine is a drug-like molecule.
| MolName | (Z)-1-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-N-[(Z)-(2-nitrophenyl)methylideneamino]methanimine |
| MolecularFormula | C24H24N4O3 |
| Smiles | [O-][N+](c1c(/C=N\N=C/C(CC/C2=C/c3ccccc3)=C2N2CCOCC2)cccc1)=O |
| InChI | InChI=1S/C24H24N4O3/c29-28(30)23-9-5-4-8-21(23)17-25-26-18-22-11-10-20(16-19-6-2-1-3-7-19)24(22)27-12-14-31-15-13-27/h1-9,16-18H,10-15H2 |
| InChIK | FPDFRETVBQEJKH-UHFFFAOYSA-N |
| TotalMolweight | 416.48 |
| Molweight | 416.48 |
| MonoisotopicMass | 416.184841 |
| CLogP | 4.4435 |
| CLogS | -5.158 |
| H Acceptors | 7 |
| TotalSurfaceArea | 329.7 |
| Relative PSA | 0.20318 |
| PolarSurfaceArea | 83.01 |
| Druglikeness | -2.277 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | aromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| 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 - (Z)-1-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-N-[(Z)-(2-nitrophenyl)methylideneamino]methanimine | 2 - (Z)-1-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-N-[(Z)-(2-nitrophenyl)methylideneamino]methanimine
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