2-[3-[(Z)-(carbamoylhydrazinylidene)methyl]indol-1-yl]-N-(4-fluorophenyl)acetamide
Formula:C18H16N5O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[3-[(Z)-(carbamoylhydrazinylidene)methyl]indol-1-yl]-N-(4-fluorophenyl)acetamide is a drug-like molecule.
| MolName | 2-[3-[(Z)-(carbamoylhydrazinylidene)methyl]indol-1-yl]-N-(4-fluorophenyl)acetamide |
| MolecularFormula | C18H16N5O2F |
| Smiles | NC(N/N=C\c1cn(CC(Nc(cc2)ccc2F)=O)c2c1cccc2)=O |
| InChI | InChI=1S/C18H16FN5O2/c19-13-5-7-14(8-6-13)22-17(25)11-24-10-12(9-21-23-18(20)26)15-3-1-2-4-16(15)24/h1-10H,11H2,(H,22,25)(H3,20,23,26) |
| InChIK | BUAHFFJHXWHLIE-UHFFFAOYSA-N |
| TotalMolweight | 353.356 |
| Molweight | 353.356 |
| MonoisotopicMass | 353.128803 |
| CLogP | 2.0504 |
| CLogS | -4.295 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 268.63 |
| Relative PSA | 0.30767 |
| PolarSurfaceArea | 101.51 |
| Druglikeness | 5.6688 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[3-[(Z)-(carbamoylhydrazinylidene)methyl]indol-1-yl]-N-(4-fluorophenyl)acetamide | 2 - 2-[3-[(Z)-(carbamoylhydrazinylidene)methyl]indol-1-yl]-N-(4-fluorophenyl)acetamide
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