(E)-3-(3,4-dichlorophenyl)-N-(5-nitropyridin-2-yl)prop-2-enamide
Formula:C14H9N3O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3,4-dichlorophenyl)-N-(5-nitropyridin-2-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(3,4-dichlorophenyl)-N-(5-nitropyridin-2-yl)prop-2-enamide |
| MolecularFormula | C14H9N3O3Cl2 |
| Smiles | [O-][N+](c(cc1)cnc1NC(/C=C/c(cc1)cc(Cl)c1Cl)=O)=O |
| InChI | InChI=1S/C14H9Cl2N3O3/c15-11-4-1-9(7-12(11)16)2-6-14(20)18-13-5-3-10(8-17-13)19(21)22/h1-8H,(H,17,18,20) |
| InChIK | KTCMIKAQPKUVRK-UHFFFAOYSA-N |
| TotalMolweight | 338.149 |
| Molweight | 338.149 |
| MonoisotopicMass | 337.002096 |
| CLogP | 2.7772 |
| CLogS | -5.16 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 242 |
| Relative PSA | 0.27227 |
| PolarSurfaceArea | 87.81 |
| Druglikeness | -5.4509 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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