(Z)-3-anthracen-9-yl-2-(4-nitrophenyl)prop-2-enenitrile
Formula:C23H14N2O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(Z)-3-anthracen-9-yl-2-(4-nitrophenyl)prop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-3-anthracen-9-yl-2-(4-nitrophenyl)prop-2-enenitrile |
| MolecularFormula | C23H14N2O2 |
| Smiles | N#C/C(/c(cc1)ccc1[N+]([O-])=O)=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C23H14N2O2/c24-15-19(16-9-11-20(12-10-16)25(26)27)14-23-21-7-3-1-5-17(21)13-18-6-2-4-8-22(18)23/h1-14H |
| InChIK | CFXJWYZEPGPKNV-UHFFFAOYSA-N |
| TotalMolweight | 350.376 |
| Molweight | 350.376 |
| MonoisotopicMass | 350.105528 |
| CLogP | 4.7998 |
| CLogS | -7.301 |
| H Acceptors | 4 |
| TotalSurfaceArea | 272.31 |
| Relative PSA | 0.16151 |
| PolarSurfaceArea | 69.61 |
| Druglikeness | -10.238 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Symmetricatoms | 8 |
| AcidicOxygens | 1 |
| StereoCon |
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