(2Z)-2-(6-chloro-4-oxothiochromen-3-ylidene)acetic acid
Formula:C11H7O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-(6-chloro-4-oxothiochromen-3-ylidene)acetic acid is a drug-like molecule.
| MolName | (2Z)-2-(6-chloro-4-oxothiochromen-3-ylidene)acetic acid |
| MolecularFormula | C11H7O3ClS |
| Smiles | OC(/C=C(\CSc(cc1)c2cc1Cl)/C2=O)=O |
| InChI | InChI=1S/C11H7ClO3S/c12-7-1-2-9-8(4-7)11(15)6(5-16-9)3-10(13)14/h1-4H,5H2,(H,13,14) |
| InChIK | VPFPKSCHIVGTOM-UHFFFAOYSA-N |
| TotalMolweight | 254.693 |
| Molweight | 254.693 |
| MonoisotopicMass | 253.980442 |
| CLogP | 1.2588 |
| CLogS | -3.573 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 172.99 |
| Relative PSA | 0.32759 |
| PolarSurfaceArea | 79.67 |
| Druglikeness | 1.5965 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (2Z)-2-(6-chloro-4-oxothiochromen-3-ylidene)acetic acid | 2 - (2Z)-2-(6-chloro-4-oxothiochromen-3-ylidene)acetic acid
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