(Z,E)-N-morpholin-4-yl-3-(2-nitrophenyl)prop-2-en-1-imine
Formula:C13H15N3O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(Z,E)-N-morpholin-4-yl-3-(2-nitrophenyl)prop-2-en-1-imine is a drug-like molecule.
| MolName | (Z,E)-N-morpholin-4-yl-3-(2-nitrophenyl)prop-2-en-1-imine |
| MolecularFormula | C13H15N3O3 |
| Smiles | [O-][N+](c1c(/C=C/C=N\N2CCOCC2)cccc1)=O |
| InChI | InChI=1S/C13H15N3O3/c17-16(18)13-6-2-1-4-12(13)5-3-7-14-15-8-10-19-11-9-15/h1-7H,8-11H2 |
| InChIK | OPWFSWCPQDXDIZ-UHFFFAOYSA-N |
| TotalMolweight | 261.28 |
| Molweight | 261.28 |
| MonoisotopicMass | 261.111342 |
| CLogP | 0.5882 |
| CLogS | -2.583 |
| H Acceptors | 6 |
| TotalSurfaceArea | 210.03 |
| Relative PSA | 0.26415 |
| PolarSurfaceArea | 70.65 |
| Druglikeness | -2.2646 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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