3,4-dichloro-N-[(Z)-[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]benzamide
Formula:C24H17N4O2Cl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3,4-dichloro-N-[(Z)-[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 3,4-dichloro-N-[(Z)-[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]benzamide |
| MolecularFormula | C24H17N4O2Cl2F |
| Smiles | O=C(Cn1c(cccc2)c2c(/C=N\NC(c(cc2)cc(Cl)c2Cl)=O)c1)Nc(cc1)ccc1F |
| InChI | InChI=1S/C24H17Cl2FN4O2/c25-20-10-5-15(11-21(20)26)24(33)30-28-12-16-13-31(22-4-2-1-3-19(16)22)14-23(32)29-18-8-6-17(27)7-9-18/h1-13H,14H2,(H,29,32)(H,30,33) |
| InChIK | YWFVTSWSPOSQTO-UHFFFAOYSA-N |
| TotalMolweight | 483.329 |
| Molweight | 483.329 |
| MonoisotopicMass | 482.071258 |
| CLogP | 5.3287 |
| CLogS | -6.674 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 350.71 |
| Relative PSA | 0.19212 |
| PolarSurfaceArea | 75.49 |
| Druglikeness | 5.4383 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60606 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 3,4-dichloro-N-[(Z)-[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]benzamide | 2 - 3,4-dichloro-N-[(Z)-[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]benzamide
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