(E)-N-(2-benzoyl-4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
Formula:C22H15N2O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(2-benzoyl-4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(2-benzoyl-4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide |
| MolecularFormula | C22H15N2O4Cl |
| Smiles | [O-][N+](c1cccc(/C=C/C(Nc(ccc(Cl)c2)c2C(c2ccccc2)=O)=O)c1)=O |
| InChI | InChI=1S/C22H15ClN2O4/c23-17-10-11-20(19(14-17)22(27)16-6-2-1-3-7-16)24-21(26)12-9-15-5-4-8-18(13-15)25(28)29/h1-14H,(H,24,26) |
| InChIK | RVAHKZJSZJEFAJ-UHFFFAOYSA-N |
| TotalMolweight | 406.824 |
| Molweight | 406.824 |
| MonoisotopicMass | 406.072035 |
| CLogP | 3.9507 |
| CLogS | -6.794 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 305.33 |
| Relative PSA | 0.22258 |
| PolarSurfaceArea | 91.99 |
| Druglikeness | -5.0356 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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