(4Z)-4-[(3-nitrobenzoyl)hydrazinylidene]-4-thiophen-2-ylbutanoic acid
Formula:C15H13N3O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-[(3-nitrobenzoyl)hydrazinylidene]-4-thiophen-2-ylbutanoic acid is a drug-like molecule.
| MolName | (4Z)-4-[(3-nitrobenzoyl)hydrazinylidene]-4-thiophen-2-ylbutanoic acid |
| MolecularFormula | C15H13N3O5S |
| Smiles | [O-][N+](c1cccc(C(N/N=C(/CCC(O)=O)\c2cccs2)=O)c1)=O |
| InChI | InChI=1S/C15H13N3O5S/c19-14(20)7-6-12(13-5-2-8-24-13)16-17-15(21)10-3-1-4-11(9-10)18(22)23/h1-5,8-9H,6-7H2,(H,17,21)(H,19,20) |
| InChIK | QMGYTOJEFPQGAI-UHFFFAOYSA-N |
| TotalMolweight | 347.35 |
| Molweight | 347.35 |
| MonoisotopicMass | 347.057592 |
| CLogP | 1.717 |
| CLogS | -4.566 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 256.43 |
| Relative PSA | 0.44039 |
| PolarSurfaceArea | 152.82 |
| Druglikeness | -1.1012 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| AcidicOxygens | 2 |
| StereoCon |
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