(E)-3-[3-[(4-morpholin-4-ylphenyl)methylideneamino]phenyl]prop-2-enoate
Formula:C20H19N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[3-[(4-morpholin-4-ylphenyl)methylideneamino]phenyl]prop-2-enoate is a drug-like molecule.
| MolName | (E)-3-[3-[(4-morpholin-4-ylphenyl)methylideneamino]phenyl]prop-2-enoate |
| MolecularFormula | C20H19N2O3 |
| Smiles | [O-]C(/C=C/c1cc(/N=C/c(cc2)ccc2N2CCOCC2)ccc1)=O |
| InChI | InChI=1S/C20H20N2O3/c23-20(24)9-6-16-2-1-3-18(14-16)21-15-17-4-7-19(8-5-17)22-10-12-25-13-11-22/h1-9,14-15H,10-13H2,(H,23,24)/p-1 |
| InChIK | KATPUEKMFBKDIU-UHFFFAOYSA-M |
| TotalMolweight | 335.382 |
| Molweight | 335.382 |
| MonoisotopicMass | 335.139568 |
| CLogP | 0.4407 |
| CLogS | -3.644 |
| H Acceptors | 5 |
| TotalSurfaceArea | 271.4 |
| Relative PSA | 0.193 |
| PolarSurfaceArea | 64.96 |
| Druglikeness | 2.1111 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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