(E)-4-[2-(diaminomethylidene)hydrazinyl]-4-oxobut-2-enoic acid
Formula:C5H8N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-[2-(diaminomethylidene)hydrazinyl]-4-oxobut-2-enoic acid is a drug-like molecule.
| MolName | (E)-4-[2-(diaminomethylidene)hydrazinyl]-4-oxobut-2-enoic acid |
| MolecularFormula | C5H8N4O3 |
| Smiles | NC(N)=NNC(/C=C/C(O)=O)=O |
| InChI | InChI=1S/C5H8N4O3/c6-5(7)9-8-3(10)1-2-4(11)12/h1-2H,(H,8,10)(H,11,12)(H4,6,7,9) |
| InChIK | VASJSXOERUPPSJ-UHFFFAOYSA-N |
| TotalMolweight | 172.144 |
| Molweight | 172.144 |
| MonoisotopicMass | 172.059641 |
| CLogP | -2.3907 |
| CLogS | -1.196 |
| H Acceptors | 7 |
| H Donors | 4 |
| TotalSurfaceArea | 133.32 |
| Relative PSA | 0.69524 |
| PolarSurfaceArea | 130.8 |
| Druglikeness | 3.1582 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Sp3Atoms | 1 |
| Symmetricatoms | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E)-4-[2-(diaminomethylidene)hydrazinyl]-4-oxobut-2-enoic acid | 2 - (E)-4-[2-(diaminomethylidene)hydrazinyl]-4-oxobut-2-enoic acid
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