[4-[(Z)-[[4-(morpholin-4-ium-4-ylmethyl)benzoyl]hydrazinylidene]methyl]phenyl] benzoate
Formula:C26H26N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[4-(morpholin-4-ium-4-ylmethyl)benzoyl]hydrazinylidene]methyl]phenyl] benzoate is a drug-like molecule.
| MolName | [4-[(Z)-[[4-(morpholin-4-ium-4-ylmethyl)benzoyl]hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C26H26N3O4 |
| Smiles | O=C(c1ccc(C[NH+]2CCOCC2)cc1)N/N=C\c(cc1)ccc1OC(c1ccccc1)=O |
| InChI | InChI=1S/C26H25N3O4/c30-25(22-10-6-21(7-11-22)19-29-14-16-32-17-15-29)28-27-18-20-8-12-24(13-9-20)33-26(31)23-4-2-1-3-5-23/h1-13,18H,14-17,19H2,(H,28,30)/p+1 |
| InChIK | GDPVMBZQRJPKEM-UHFFFAOYSA-O |
| TotalMolweight | 444.509 |
| Molweight | 444.509 |
| MonoisotopicMass | 444.192332 |
| CLogP | 2.1143 |
| CLogS | -4.772 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 364.14 |
| Relative PSA | 0.23793 |
| PolarSurfaceArea | 81.43 |
| Druglikeness | 1.9371 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69697 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 8 |
| Symmetricatoms | 8 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - [4-[(Z)-[[4-(morpholin-4-ium-4-ylmethyl)benzoyl]hydrazinylidene]methyl]phenyl] benzoate | 2 - [4-[(Z)-[[4-(morpholin-4-ium-4-ylmethyl)benzoyl]hydrazinylidene]methyl]phenyl] benzoate
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