N-[(Z)-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-2-chloroaniline
Formula:C23H24N3OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-2-chloroaniline is not a drug-like molecule.
| MolName | N-[(Z)-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-2-chloroaniline |
| MolecularFormula | C23H24N3OCl |
| Smiles | Clc(cccc1)c1N/N=C\C(CC/C1=C\c2ccccc2)=C1N1CCOCC1 |
| InChI | InChI=1S/C23H24ClN3O/c24-21-8-4-5-9-22(21)26-25-17-20-11-10-19(16-18-6-2-1-3-7-18)23(20)27-12-14-28-15-13-27/h1-9,16-17,26H,10-15H2 |
| InChIK | LSYDJYUZYHIOHW-UHFFFAOYSA-N |
| TotalMolweight | 393.917 |
| Molweight | 393.917 |
| MonoisotopicMass | 393.160789 |
| CLogP | 6.0264 |
| CLogS | -4.451 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 308.15 |
| Relative PSA | 0.11851 |
| PolarSurfaceArea | 36.86 |
| Druglikeness | 3.1025 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-2-chloroaniline | 2 - N-[(Z)-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-2-chloroaniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off