Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C12H12 |
| Molecular Weight | 156.2237 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=CC=C2C(C)=CC=CC2=C1
InChI
InChIKey=CBMXCNPQDUJNHT-UHFFFAOYSA-N
InChI=1S/C12H12/c1-9-6-7-12-10(2)4-3-5-11(12)8-9/h3-8H,1-2H3
| Molecular Formula | C12H12 |
| Molecular Weight | 156.2237 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods. | 2006-11 |
|
| Predictive three-dimensional quantitative structure-activity relationship of cytochrome P450 1A2 inhibitors. | 2005-06-02 |
|
| Disposition and metabolism of 1,6-dimethylnaphthalene in rats. | 2002-08-05 |
|
| Structure-activity relationships for a large diverse set of natural, synthetic, and environmental estrogens. | 2001-03 |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 19:39:36 GMT 2025
by
admin
on
Mon Mar 31 19:39:36 GMT 2025
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| Record UNII |
DXN13WI5EY
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| Record Status |
Validated (UNII)
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| Record Version |
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