N-[2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
Formula:C12H10N4O5S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide |
| MolecularFormula | C12H10N4O5S |
| Smiles | [O-][N+](c1ccc(/C=N\NC(CNC(c2cccs2)=O)=O)o1)=O |
| InChI | InChI=1S/C12H10N4O5S/c17-10(7-13-12(18)9-2-1-5-22-9)15-14-6-8-3-4-11(21-8)16(19)20/h1-6H,7H2,(H,13,18)(H,15,17) |
| InChIK | HGZLMPOLOVYQQL-UHFFFAOYSA-N |
| TotalMolweight | 322.3 |
| Molweight | 322.3 |
| MonoisotopicMass | 322.037191 |
| CLogP | 0.7704 |
| CLogS | -4.165 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 239.26 |
| Relative PSA | 0.52412 |
| PolarSurfaceArea | 157.76 |
| Druglikeness | 5.0927 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide | 2 - N-[2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off