(E)-4-[2-(4-benzamidobenzoyl)hydrazinyl]-4-oxobut-2-enoic acid
Formula:C18H15N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-[2-(4-benzamidobenzoyl)hydrazinyl]-4-oxobut-2-enoic acid is a drug-like molecule.
| MolName | (E)-4-[2-(4-benzamidobenzoyl)hydrazinyl]-4-oxobut-2-enoic acid |
| MolecularFormula | C18H15N3O5 |
| Smiles | OC(/C=C/C(NNC(c(cc1)ccc1NC(c1ccccc1)=O)=O)=O)=O |
| InChI | InChI=1S/C18H15N3O5/c22-15(10-11-16(23)24)20-21-18(26)13-6-8-14(9-7-13)19-17(25)12-4-2-1-3-5-12/h1-11H,(H,19,25)(H,20,22)(H,21,26)(H,23,24) |
| InChIK | USKUYSNFZRVVBV-UHFFFAOYSA-N |
| TotalMolweight | 353.333 |
| Molweight | 353.333 |
| MonoisotopicMass | 353.101172 |
| CLogP | 0.7016 |
| CLogS | -3.439 |
| H Acceptors | 8 |
| H Donors | 4 |
| TotalSurfaceArea | 271.25 |
| Relative PSA | 0.36734 |
| PolarSurfaceArea | 124.6 |
| Druglikeness | 2.5316 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E)-4-[2-(4-benzamidobenzoyl)hydrazinyl]-4-oxobut-2-enoic acid | 2 - (E)-4-[2-(4-benzamidobenzoyl)hydrazinyl]-4-oxobut-2-enoic acid
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