N-[(Z)-anthracen-9-ylmethylideneamino]-3H-benzimidazole-5-carboxamide
Formula:C23H16N4O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-3H-benzimidazole-5-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-3H-benzimidazole-5-carboxamide |
| MolecularFormula | C23H16N4O |
| Smiles | O=C(c(cc1)cc2c1nc[nH]2)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C23H16N4O/c28-23(17-9-10-21-22(12-17)25-14-24-21)27-26-13-20-18-7-3-1-5-15(18)11-16-6-2-4-8-19(16)20/h1-14H,(H,24,25)(H,27,28) |
| InChIK | QUTCKWQJLBKDQN-UHFFFAOYSA-N |
| TotalMolweight | 364.407 |
| Molweight | 364.407 |
| MonoisotopicMass | 364.132411 |
| CLogP | 5.19 |
| CLogS | -7.144 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 279.12 |
| Relative PSA | 0.21844 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | 4.9886 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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