4-[(2Z)-2-[[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydrazinyl]benzenesulfonate
Formula:C23H24N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2Z)-2-[[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydrazinyl]benzenesulfonate is a drug-like molecule.
| MolName | 4-[(2Z)-2-[[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydrazinyl]benzenesulfonate |
| MolecularFormula | C23H24N3O4S |
| Smiles | [O-]S(c(cc1)ccc1N/N=C\C(CC/C1=C/c2ccccc2)=C1N1CCOCC1)(=O)=O |
| InChI | InChI=1S/C23H25N3O4S/c27-31(28,29)22-10-8-21(9-11-22)25-24-17-20-7-6-19(16-18-4-2-1-3-5-18)23(20)26-12-14-30-15-13-26/h1-5,8-11,16-17,25H,6-7,12-15H2,(H,27,28,29)/p-1 |
| InChIK | BHLVOMNQXIXUTK-UHFFFAOYSA-M |
| TotalMolweight | 438.527 |
| Molweight | 438.527 |
| MonoisotopicMass | 438.148752 |
| CLogP | 1.9435 |
| CLogS | -2.321 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 328.84 |
| Relative PSA | 0.24139 |
| PolarSurfaceArea | 102.44 |
| Druglikeness | -10.268 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 7 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-[(2Z)-2-[[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydrazinyl]benzenesulfonate | 2 - 4-[(2Z)-2-[[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydrazinyl]benzenesulfonate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off