[(Z)-(4-chlorophenyl)-[3-(cyclopenten-1-yl)-2-morpholin-4-ylcyclopent-2-en-1-ylidene]methyl] 4-chlorobenzoate
Formula:C28H27NO3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-(4-chlorophenyl)-[3-(cyclopenten-1-yl)-2-morpholin-4-ylcyclopent-2-en-1-ylidene]methyl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [(Z)-(4-chlorophenyl)-[3-(cyclopenten-1-yl)-2-morpholin-4-ylcyclopent-2-en-1-ylidene]methyl] 4-chlorobenzoate |
| MolecularFormula | C28H27NO3Cl2 |
| Smiles | O=C(c(cc1)ccc1Cl)O/C(/c(cc1)ccc1Cl)=C(/CC1)\C(N2CCOCC2)=C1C1=CCCC1 |
| InChI | InChI=1S/C28H27Cl2NO3/c29-22-9-5-20(6-10-22)27(34-28(32)21-7-11-23(30)12-8-21)25-14-13-24(19-3-1-2-4-19)26(25)31-15-17-33-18-16-31/h3,5-12H,1-2,4,13-18H2 |
| InChIK | RJEJRTIMPJOAPF-UHFFFAOYSA-N |
| TotalMolweight | 496.432 |
| Molweight | 496.432 |
| MonoisotopicMass | 495.136798 |
| CLogP | 6.6443 |
| CLogS | -6.175 |
| H Acceptors | 4 |
| TotalSurfaceArea | 365.8 |
| Relative PSA | 0.10003 |
| PolarSurfaceArea | 38.77 |
| Druglikeness | -1.5641 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.41176 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 12 |
| Symmetricatoms | 6 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(Z)-(4-chlorophenyl)-[3-(cyclopenten-1-yl)-2-morpholin-4-ylcyclopent-2-en-1-ylidene]methyl] 4-chlorobenzoate | 2 - [(Z)-(4-chlorophenyl)-[3-(cyclopenten-1-yl)-2-morpholin-4-ylcyclopent-2-en-1-ylidene]methyl] 4-chlorobenzoate
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