N'-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]oxamide
Formula:C17H12N3O2Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N'-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]oxamide |
| MolecularFormula | C17H12N3O2Cl |
| Smiles | NC(C(N/N=C\c(c1ccccc11)c(cccc2)c2c1Cl)=O)=O |
| InChI | InChI=1S/C17H12ClN3O2/c18-15-12-7-3-1-5-10(12)14(9-20-21-17(23)16(19)22)11-6-2-4-8-13(11)15/h1-9H,(H2,19,22)(H,21,23) |
| InChIK | UDJFHAIKJLVEQJ-UHFFFAOYSA-N |
| TotalMolweight | 325.754 |
| Molweight | 325.754 |
| MonoisotopicMass | 325.061804 |
| CLogP | 3.0785 |
| CLogS | -6.05 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 238.12 |
| Relative PSA | 0.27012 |
| PolarSurfaceArea | 84.55 |
| Druglikeness | 2.2739 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.47826 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N'-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]oxamide | 2 - N'-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]oxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off