5-[5-[(Z)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzene-1,3-dicarboxylic acid
Formula:C14H11N3O6
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
5-[5-[(Z)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzene-1,3-dicarboxylic acid is a drug-like molecule.
| MolName | 5-[5-[(Z)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzene-1,3-dicarboxylic acid |
| MolecularFormula | C14H11N3O6 |
| Smiles | NC(N/N=C\c1ccc(-c2cc(C(O)=O)cc(C(O)=O)c2)o1)=O |
| InChI | InChI=1S/C14H11N3O6/c15-14(22)17-16-6-10-1-2-11(23-10)7-3-8(12(18)19)5-9(4-7)13(20)21/h1-6H,(H,18,19)(H,20,21)(H3,15,17,22) |
| InChIK | AUBNFHLWMCYNOW-UHFFFAOYSA-N |
| TotalMolweight | 317.256 |
| Molweight | 317.256 |
| MonoisotopicMass | 317.064787 |
| CLogP | 1.0444 |
| CLogS | -4.3 |
| H Acceptors | 9 |
| H Donors | 4 |
| TotalSurfaceArea | 233.4 |
| Relative PSA | 0.50416 |
| PolarSurfaceArea | 155.22 |
| Druglikeness | 6.2586 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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