4-[(Z)-morpholin-4-yliminomethyl]benzoic acid
Formula:C12H14N2O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
4-[(Z)-morpholin-4-yliminomethyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(Z)-morpholin-4-yliminomethyl]benzoic acid |
| MolecularFormula | C12H14N2O3 |
| Smiles | OC(c1ccc(/C=N\N2CCOCC2)cc1)=O |
| InChI | InChI=1S/C12H14N2O3/c15-12(16)11-3-1-10(2-4-11)9-13-14-5-7-17-8-6-14/h1-4,9H,5-8H2,(H,15,16) |
| InChIK | DKWAUVPHEKCTGA-UHFFFAOYSA-N |
| TotalMolweight | 234.254 |
| Molweight | 234.254 |
| MonoisotopicMass | 234.100443 |
| CLogP | 0.9766 |
| CLogS | -1.844 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 183.96 |
| Relative PSA | 0.27832 |
| PolarSurfaceArea | 62.13 |
| Druglikeness | 2.655 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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