1-morpholin-4-yl-2-[3-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]indol-1-yl]ethanone
Formula:C21H21N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-morpholin-4-yl-2-[3-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]indol-1-yl]ethanone is a drug-like molecule.
| MolName | 1-morpholin-4-yl-2-[3-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]indol-1-yl]ethanone |
| MolecularFormula | C21H21N5O4 |
| Smiles | [O-][N+](c(cc1)ccc1N/N=C\c1cn(CC(N2CCOCC2)=O)c2c1cccc2)=O |
| InChI | InChI=1S/C21H21N5O4/c27-21(24-9-11-30-12-10-24)15-25-14-16(19-3-1-2-4-20(19)25)13-22-23-17-5-7-18(8-6-17)26(28)29/h1-8,13-14,23H,9-12,15H2 |
| InChIK | VFAYUMOANHATAW-UHFFFAOYSA-N |
| TotalMolweight | 407.429 |
| Molweight | 407.429 |
| MonoisotopicMass | 407.159355 |
| CLogP | 3.2604 |
| CLogS | -2.974 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 310.06 |
| Relative PSA | 0.28011 |
| PolarSurfaceArea | 104.68 |
| Druglikeness | -0.035655 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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