2-[(2Z)-2-[[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydrazinyl]benzoic acid
Formula:C24H25N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2Z)-2-[[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydrazinyl]benzoic acid is a drug-like molecule.
| MolName | 2-[(2Z)-2-[[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydrazinyl]benzoic acid |
| MolecularFormula | C24H25N3O3 |
| Smiles | OC(c(cccc1)c1N/N=C\C(CC/C1=C\c2ccccc2)=C1N1CCOCC1)=O |
| InChI | InChI=1S/C24H25N3O3/c28-24(29)21-8-4-5-9-22(21)26-25-17-20-11-10-19(16-18-6-2-1-3-7-18)23(20)27-12-14-30-15-13-27/h1-9,16-17,26H,10-15H2,(H,28,29) |
| InChIK | GUVPXPPVHULKJG-UHFFFAOYSA-N |
| TotalMolweight | 403.481 |
| Molweight | 403.481 |
| MonoisotopicMass | 403.189592 |
| CLogP | 4.9055 |
| CLogS | -3.728 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 316.83 |
| Relative PSA | 0.19777 |
| PolarSurfaceArea | 74.16 |
| Druglikeness | 2.9878 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(2Z)-2-[[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydrazinyl]benzoic acid | 2 - 2-[(2Z)-2-[[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydrazinyl]benzoic acid
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