2-chloro-N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]benzamide
Formula:C22H14N2OCl2
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
2-chloro-N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 2-chloro-N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]benzamide |
| MolecularFormula | C22H14N2OCl2 |
| Smiles | O=C(c(cccc1)c1Cl)N/N=C\c(c1ccccc11)c(cccc2)c2c1Cl |
| InChI | InChI=1S/C22H14Cl2N2O/c23-20-12-6-5-11-18(20)22(27)26-25-13-19-14-7-1-3-9-16(14)21(24)17-10-4-2-8-15(17)19/h1-13H,(H,26,27) |
| InChIK | NWTVRAKZNTVTRP-UHFFFAOYSA-N |
| TotalMolweight | 393.272 |
| Molweight | 393.272 |
| MonoisotopicMass | 392.048317 |
| CLogP | 6.8024 |
| CLogS | -8.405 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 287.03 |
| Relative PSA | 0.12546 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 4.4715 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Symmetricatoms | 6 |
| StereoCon |
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