3-nitro-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
Formula:C14H11N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-nitro-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide is a drug-like molecule.
| MolName | 3-nitro-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide |
| MolecularFormula | C14H11N3O4S |
| Smiles | [O-][N+](c1cccc(C(NNC(/C=C/c2cccs2)=O)=O)c1)=O |
| InChI | InChI=1S/C14H11N3O4S/c18-13(7-6-12-5-2-8-22-12)15-16-14(19)10-3-1-4-11(9-10)17(20)21/h1-9H,(H,15,18)(H,16,19) |
| InChIK | CENSYTBCVPEJGZ-UHFFFAOYSA-N |
| TotalMolweight | 317.324 |
| Molweight | 317.324 |
| MonoisotopicMass | 317.047027 |
| CLogP | 0.8918 |
| CLogS | -4.15 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 237.55 |
| Relative PSA | 0.42004 |
| PolarSurfaceArea | 132.26 |
| Druglikeness | -2.5784 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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