N-[(1Z)-2-morpholin-4-yl-1-(2-nitrofluoren-9-ylidene)-2-oxoethyl]benzamide
Formula:C26H21N3O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(1Z)-2-morpholin-4-yl-1-(2-nitrofluoren-9-ylidene)-2-oxoethyl]benzamide is a drug-like molecule.
| MolName | N-[(1Z)-2-morpholin-4-yl-1-(2-nitrofluoren-9-ylidene)-2-oxoethyl]benzamide |
| MolecularFormula | C26H21N3O5 |
| Smiles | [O-][N+](c(cc1)cc2c1-c(cccc1)c1/C2=C(\C(N1CCOCC1)=O)/NC(c1ccccc1)=O)=O |
| InChI | InChI=1S/C26H21N3O5/c30-25(17-6-2-1-3-7-17)27-24(26(31)28-12-14-34-15-13-28)23-21-9-5-4-8-19(21)20-11-10-18(29(32)33)16-22(20)23/h1-11,16H,12-15H2,(H,27,30) |
| InChIK | SCORGHNOVCHJDB-UHFFFAOYSA-N |
| TotalMolweight | 455.469 |
| Molweight | 455.469 |
| MonoisotopicMass | 455.148122 |
| CLogP | 3.4633 |
| CLogS | -5.736 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 334.67 |
| Relative PSA | 0.24355 |
| PolarSurfaceArea | 104.46 |
| Druglikeness | -0.195 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.38235 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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