(E)-N-(2,3-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
Formula:C15H10N2O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(2,3-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(2,3-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide |
| MolecularFormula | C15H10N2O3Cl2 |
| Smiles | [O-][N+](c1cccc(/C=C/C(Nc2cccc(Cl)c2Cl)=O)c1)=O |
| InChI | InChI=1S/C15H10Cl2N2O3/c16-12-5-2-6-13(15(12)17)18-14(20)8-7-10-3-1-4-11(9-10)19(21)22/h1-9H,(H,18,20) |
| InChIK | NMCRJVIBLCARGX-UHFFFAOYSA-N |
| TotalMolweight | 337.161 |
| Molweight | 337.161 |
| MonoisotopicMass | 336.006847 |
| CLogP | 3.4267 |
| CLogS | -5.43 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 243.24 |
| Relative PSA | 0.22579 |
| PolarSurfaceArea | 74.92 |
| Druglikeness | -5.4509 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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