(E)-3-(acridin-9-ylamino)-2-(1,3-benzoxazol-2-yl)prop-2-enenitrile
Formula:C23H14N4O
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(E)-3-(acridin-9-ylamino)-2-(1,3-benzoxazol-2-yl)prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-3-(acridin-9-ylamino)-2-(1,3-benzoxazol-2-yl)prop-2-enenitrile |
| MolecularFormula | C23H14N4O |
| Smiles | N#C/C(/c1nc(cccc2)c2o1)=C\Nc1c(cccc2)c2nc2ccccc12 |
| InChI | InChI=1S/C23H14N4O/c24-13-15(23-27-20-11-5-6-12-21(20)28-23)14-25-22-16-7-1-3-9-18(16)26-19-10-4-2-8-17(19)22/h1-12,14H,(H,25,26) |
| InChIK | BKMYIVKUAHOOKB-UHFFFAOYSA-N |
| TotalMolweight | 362.391 |
| Molweight | 362.391 |
| MonoisotopicMass | 362.116761 |
| CLogP | 4.0375 |
| CLogS | -5.911 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 281.91 |
| Relative PSA | 0.21663 |
| PolarSurfaceArea | 74.74 |
| Druglikeness | -4.4005 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.46429 |
| 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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