(E)-4-[2-(2-cyanoacetyl)hydrazinyl]-4-oxobut-2-enoic acid
Formula:C7H7N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-[2-(2-cyanoacetyl)hydrazinyl]-4-oxobut-2-enoic acid is a drug-like molecule.
| MolName | (E)-4-[2-(2-cyanoacetyl)hydrazinyl]-4-oxobut-2-enoic acid |
| MolecularFormula | C7H7N3O4 |
| Smiles | N#CCC(NNC(/C=C/C(O)=O)=O)=O |
| InChI | InChI=1S/C7H7N3O4/c8-4-3-6(12)10-9-5(11)1-2-7(13)14/h1-2H,3H2,(H,9,11)(H,10,12)(H,13,14) |
| InChIK | VLRSZDOWFWMPPL-UHFFFAOYSA-N |
| TotalMolweight | 197.15 |
| Molweight | 197.15 |
| MonoisotopicMass | 197.043657 |
| CLogP | -2.1897 |
| CLogS | -1.175 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 157.99 |
| Relative PSA | 0.56143 |
| PolarSurfaceArea | 119.29 |
| Druglikeness | -5.1813 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.78571 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E)-4-[2-(2-cyanoacetyl)hydrazinyl]-4-oxobut-2-enoic acid | 2 - (E)-4-[2-(2-cyanoacetyl)hydrazinyl]-4-oxobut-2-enoic acid
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