N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]formamide
Formula:C16H11N2OCl
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]formamide is a drug-like molecule.
| MolName | N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]formamide |
| MolecularFormula | C16H11N2OCl |
| Smiles | O=CN/N=C\c(c1ccccc11)c(cccc2)c2c1Cl |
| InChI | InChI=1S/C16H11ClN2O/c17-16-13-7-3-1-5-11(13)15(9-18-19-10-20)12-6-2-4-8-14(12)16/h1-10H,(H,19,20) |
| InChIK | IBBRILAKKPJQQW-UHFFFAOYSA-N |
| TotalMolweight | 282.729 |
| Molweight | 282.729 |
| MonoisotopicMass | 282.05599 |
| CLogP | 4.3818 |
| CLogS | -6.668 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 213.64 |
| Relative PSA | 0.16855 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 2.2236 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Symmetricatoms | 6 |
| StereoCon |
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