(6Z)-6-(carbamoylhydrazinylidene)-6-[5-(carboxymethyl)thiophen-2-yl]hexanoic acid
Formula:C13H17N3O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6Z)-6-(carbamoylhydrazinylidene)-6-[5-(carboxymethyl)thiophen-2-yl]hexanoic acid is a drug-like molecule.
| MolName | (6Z)-6-(carbamoylhydrazinylidene)-6-[5-(carboxymethyl)thiophen-2-yl]hexanoic acid |
| MolecularFormula | C13H17N3O5S |
| Smiles | NC(N/N=C(/CCCCC(O)=O)\c1ccc(CC(O)=O)s1)=O |
| InChI | InChI=1S/C13H17N3O5S/c14-13(21)16-15-9(3-1-2-4-11(17)18)10-6-5-8(22-10)7-12(19)20/h5-6H,1-4,7H2,(H,17,18)(H,19,20)(H3,14,16,21) |
| InChIK | OKKCXTVJNDWJII-UHFFFAOYSA-N |
| TotalMolweight | 327.36 |
| Molweight | 327.36 |
| MonoisotopicMass | 327.088892 |
| CLogP | 1.0465 |
| CLogS | -3.827 |
| H Acceptors | 8 |
| H Donors | 4 |
| TotalSurfaceArea | 246.9 |
| Relative PSA | 0.5019 |
| PolarSurfaceArea | 170.32 |
| Druglikeness | -5.0308 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 7 |
| Amides | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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