6,7-dihydroxy-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]chromen-2-one
Formula:C17H12N4O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
6,7-dihydroxy-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]chromen-2-one is a drug-like molecule.
| MolName | 6,7-dihydroxy-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]chromen-2-one |
| MolecularFormula | C17H12N4O4S |
| Smiles | Oc(c(O)c1)cc(C(CSc2nnnn2-c2ccccc2)=C2)c1OC2=O |
| InChI | InChI=1S/C17H12N4O4S/c22-13-7-12-10(6-16(24)25-15(12)8-14(13)23)9-26-17-18-19-20-21(17)11-4-2-1-3-5-11/h1-8,22-23H,9H2 |
| InChIK | SCMNGLSPJUWMKQ-UHFFFAOYSA-N |
| TotalMolweight | 368.372 |
| Molweight | 368.372 |
| MonoisotopicMass | 368.057926 |
| CLogP | 1.6815 |
| CLogS | -3.287 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 261.17 |
| Relative PSA | 0.40782 |
| PolarSurfaceArea | 135.66 |
| Druglikeness | -1.4491 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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