N-[(Z)-anthracen-9-ylmethylideneamino]-2-cyclopropylquinoline-4-carboxamide
Formula:C28H21N3O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-anthracen-9-ylmethylideneamino]-2-cyclopropylquinoline-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-2-cyclopropylquinoline-4-carboxamide |
| MolecularFormula | C28H21N3O |
| Smiles | O=C(c1cc(C2CC2)nc2ccccc12)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C28H21N3O/c32-28(24-16-27(18-13-14-18)30-26-12-6-5-11-23(24)26)31-29-17-25-21-9-3-1-7-19(21)15-20-8-2-4-10-22(20)25/h1-12,15-18H,13-14H2,(H,31,32) |
| InChIK | WDJOXXXEPCWROA-UHFFFAOYSA-N |
| TotalMolweight | 415.495 |
| Molweight | 415.495 |
| MonoisotopicMass | 415.168462 |
| CLogP | 7.0712 |
| CLogS | -8.62 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 316.07 |
| Relative PSA | 0.14864 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 5.1046 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.4375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 7 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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