7-[5-[(Z)-hydroxyiminomethyl]thiophen-2-yl]heptanoate
Formula:C12H16NO3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
7-[5-[(Z)-hydroxyiminomethyl]thiophen-2-yl]heptanoate is a drug-like molecule.
| MolName | 7-[5-[(Z)-hydroxyiminomethyl]thiophen-2-yl]heptanoate |
| MolecularFormula | C12H16NO3S |
| Smiles | [O-]C(CCCCCCc1ccc(/C=N\O)s1)=O |
| InChI | InChI=1S/C12H17NO3S/c14-12(15)6-4-2-1-3-5-10-7-8-11(17-10)9-13-16/h7-9,16H,1-6H2,(H,14,15)/p-1 |
| InChIK | RNUFHONOZRFZRQ-UHFFFAOYSA-M |
| TotalMolweight | 254.329 |
| Molweight | 254.329 |
| MonoisotopicMass | 254.085089 |
| CLogP | 1.8423 |
| CLogS | -3.763 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 208.15 |
| Relative PSA | 0.3473 |
| PolarSurfaceArea | 100.96 |
| Druglikeness | -6.6772 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.82353 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 8 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 8 |
| AcidicOxygens | 1 |
| StereoCon |
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