[(E)-3-carboxy-1-hydroxyprop-2-enylidene]oxidanium
Formula:C4H5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-3-carboxy-1-hydroxyprop-2-enylidene]oxidanium is a drug-like molecule.
| MolName | [(E)-3-carboxy-1-hydroxyprop-2-enylidene]oxidanium |
| MolecularFormula | C4H5O4 |
| Smiles | OC(/C=C/C(O)=[OH+])=O |
| InChI | InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p+1 |
| InChIK | VZCYOOQTPOCHFL-UHFFFAOYSA-O |
| TotalMolweight | 117.08 |
| Molweight | 117.08 |
| MonoisotopicMass | 117.018785 |
| CLogP | -0.7354 |
| CLogS | -0.246 |
| H Acceptors | 4 |
| H Donors | 3 |
| TotalSurfaceArea | 75.16 |
| Relative PSA | 0.52209 |
| PolarSurfaceArea | 57.53 |
| Druglikeness | -3.8525 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 8 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Sp3Atoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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