(E)-2-cyano-N-(2-hydroxy-4-nitrophenyl)-3-(2-phenylmethoxyphenyl)prop-2-enamide
Formula:C23H17N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-N-(2-hydroxy-4-nitrophenyl)-3-(2-phenylmethoxyphenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-N-(2-hydroxy-4-nitrophenyl)-3-(2-phenylmethoxyphenyl)prop-2-enamide |
| MolecularFormula | C23H17N3O5 |
| Smiles | N#C/C(/C(Nc(ccc([N+]([O-])=O)c1)c1O)=O)=C\c(cccc1)c1OCc1ccccc1 |
| InChI | InChI=1S/C23H17N3O5/c24-14-18(23(28)25-20-11-10-19(26(29)30)13-21(20)27)12-17-8-4-5-9-22(17)31-15-16-6-2-1-3-7-16/h1-13,27H,15H2,(H,25,28) |
| InChIK | VZEAZILNCWURDI-UHFFFAOYSA-N |
| TotalMolweight | 415.404 |
| Molweight | 415.404 |
| MonoisotopicMass | 415.116822 |
| CLogP | 3.0691 |
| CLogS | -5.275 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 322.19 |
| Relative PSA | 0.28424 |
| PolarSurfaceArea | 128.17 |
| Druglikeness | -6.9882 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; aromatic nitro |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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