(9Z)-N-hydroxyanthracene-9-carboximidoyl chloride
Formula:C15H10NOCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(9Z)-N-hydroxyanthracene-9-carboximidoyl chloride is a drug-like molecule.
| MolName | (9Z)-N-hydroxyanthracene-9-carboximidoyl chloride |
| MolecularFormula | C15H10NOCl |
| Smiles | O/N=C(/c1c(cccc2)c2cc2ccccc12)\Cl |
| InChI | InChI=1S/C15H10ClNO/c16-15(17-18)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9,18H |
| InChIK | HNCKUONLZVGZKH-UHFFFAOYSA-N |
| TotalMolweight | 255.703 |
| Molweight | 255.703 |
| MonoisotopicMass | 255.045091 |
| CLogP | 4.593 |
| CLogS | -6.549 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 187.2 |
| Relative PSA | 0.13146 |
| PolarSurfaceArea | 32.59 |
| Druglikeness | -1.7422 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-halogenide type; allyl/benzyl chloride |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| StereoCon |
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