N'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide
Formula:C16H12N3O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide is a drug-like molecule.
| MolName | N'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide |
| MolecularFormula | C16H12N3O4Cl |
| Smiles | [O-][N+](c(cc1)ccc1C(NNC(/C=C/c(cc1)ccc1Cl)=O)=O)=O |
| InChI | InChI=1S/C16H12ClN3O4/c17-13-6-1-11(2-7-13)3-10-15(21)18-19-16(22)12-4-8-14(9-5-12)20(23)24/h1-10H,(H,18,21)(H,19,22) |
| InChIK | YGEBQDCOWJZOSQ-UHFFFAOYSA-N |
| TotalMolweight | 345.741 |
| Molweight | 345.741 |
| MonoisotopicMass | 345.051634 |
| CLogP | 1.6312 |
| CLogS | -4.876 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 257.03 |
| Relative PSA | 0.30899 |
| PolarSurfaceArea | 104.02 |
| Druglikeness | -4.4702 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide | 2 - N'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide
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