(E)-4-[2-(4-anilino-4-oxobutanoyl)hydrazinyl]-4-oxobut-2-enoic acid
Formula:C14H15N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-[2-(4-anilino-4-oxobutanoyl)hydrazinyl]-4-oxobut-2-enoic acid is a drug-like molecule.
| MolName | (E)-4-[2-(4-anilino-4-oxobutanoyl)hydrazinyl]-4-oxobut-2-enoic acid |
| MolecularFormula | C14H15N3O5 |
| Smiles | OC(/C=C/C(NNC(CCC(Nc1ccccc1)=O)=O)=O)=O |
| InChI | InChI=1S/C14H15N3O5/c18-11(15-10-4-2-1-3-5-10)6-7-12(19)16-17-13(20)8-9-14(21)22/h1-5,8-9H,6-7H2,(H,15,18)(H,16,19)(H,17,20)(H,21,22) |
| InChIK | PMPXGWMTLUCHLP-UHFFFAOYSA-N |
| TotalMolweight | 305.289 |
| Molweight | 305.289 |
| MonoisotopicMass | 305.101172 |
| CLogP | -0.5948 |
| CLogS | -2.271 |
| H Acceptors | 8 |
| H Donors | 4 |
| TotalSurfaceArea | 239.01 |
| Relative PSA | 0.41689 |
| PolarSurfaceArea | 124.6 |
| Druglikeness | 1.435 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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