(4-chlorophenyl) (3Z)-3-[(4-nitrophenyl)methoxyimino]propanoate
Formula:C16H13N2O5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4-chlorophenyl) (3Z)-3-[(4-nitrophenyl)methoxyimino]propanoate is a drug-like molecule.
| MolName | (4-chlorophenyl) (3Z)-3-[(4-nitrophenyl)methoxyimino]propanoate |
| MolecularFormula | C16H13N2O5Cl |
| Smiles | [O-][N+](c1ccc(CO/N=C\CC(Oc(cc2)ccc2Cl)=O)cc1)=O |
| InChI | InChI=1S/C16H13ClN2O5/c17-13-3-7-15(8-4-13)24-16(20)9-10-18-23-11-12-1-5-14(6-2-12)19(21)22/h1-8,10H,9,11H2 |
| InChIK | FWDHJKODFVODIL-UHFFFAOYSA-N |
| TotalMolweight | 348.741 |
| Molweight | 348.741 |
| MonoisotopicMass | 348.0513 |
| CLogP | 2.8889 |
| CLogS | -4.792 |
| H Acceptors | 7 |
| TotalSurfaceArea | 262.14 |
| Relative PSA | 0.28599 |
| PolarSurfaceArea | 93.71 |
| Druglikeness | -5.8971 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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