(E)-2-naphthalen-2-yl-3-(4-nitrophenyl)prop-2-enenitrile
Formula:C19H12N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-2-naphthalen-2-yl-3-(4-nitrophenyl)prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-naphthalen-2-yl-3-(4-nitrophenyl)prop-2-enenitrile |
| MolecularFormula | C19H12N2O2 |
| Smiles | N#C/C(/c1cc2ccccc2cc1)=C/c(cc1)ccc1[N+]([O-])=O |
| InChI | InChI=1S/C19H12N2O2/c20-13-18(11-14-5-9-19(10-6-14)21(22)23)17-8-7-15-3-1-2-4-16(15)12-17/h1-12H |
| InChIK | OFLULEFYZIDHPE-UHFFFAOYSA-N |
| TotalMolweight | 300.316 |
| Molweight | 300.316 |
| MonoisotopicMass | 300.089878 |
| CLogP | 3.6054 |
| CLogS | -5.695 |
| H Acceptors | 4 |
| TotalSurfaceArea | 237.71 |
| Relative PSA | 0.18502 |
| PolarSurfaceArea | 69.61 |
| Druglikeness | -10.238 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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