(E)-3-naphthalen-1-yl-N-(2-nitrophenyl)prop-2-enamide
Formula:C19H14N2O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-3-naphthalen-1-yl-N-(2-nitrophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-naphthalen-1-yl-N-(2-nitrophenyl)prop-2-enamide |
| MolecularFormula | C19H14N2O3 |
| Smiles | [O-][N+](c(cccc1)c1NC(/C=C/c1cccc2ccccc12)=O)=O |
| InChI | InChI=1S/C19H14N2O3/c22-19(20-17-10-3-4-11-18(17)21(23)24)13-12-15-8-5-7-14-6-1-2-9-16(14)15/h1-13H,(H,20,22) |
| InChIK | AYSXQXVKAQNYQD-UHFFFAOYSA-N |
| TotalMolweight | 318.331 |
| Molweight | 318.331 |
| MonoisotopicMass | 318.100443 |
| CLogP | 3.4091 |
| CLogS | -5.564 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 247 |
| Relative PSA | 0.22235 |
| PolarSurfaceArea | 74.92 |
| Druglikeness | -5.5383 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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