[(Z)-(10-chloroanthracen-9-yl)methylideneamino]urea
Formula:C16H12N3OCl
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
[(Z)-(10-chloroanthracen-9-yl)methylideneamino]urea is a drug-like molecule.
| MolName | [(Z)-(10-chloroanthracen-9-yl)methylideneamino]urea |
| MolecularFormula | C16H12N3OCl |
| Smiles | NC(N/N=C\c(c1ccccc11)c(cccc2)c2c1Cl)=O |
| InChI | InChI=1S/C16H12ClN3O/c17-15-12-7-3-1-5-10(12)14(9-19-20-16(18)21)11-6-2-4-8-13(11)15/h1-9H,(H3,18,20,21) |
| InChIK | KYHDKKXZFITZDY-UHFFFAOYSA-N |
| TotalMolweight | 297.744 |
| Molweight | 297.744 |
| MonoisotopicMass | 297.066889 |
| CLogP | 4.1301 |
| CLogS | -6.762 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 220.37 |
| Relative PSA | 0.2327 |
| PolarSurfaceArea | 67.48 |
| Druglikeness | 4.3088 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.47619 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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