BIAdb Aspirin 1235
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=1235 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=1235 Link to BIAdb Database] | ||
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Current revision
| BIAdb Aspirin 1235
| |
| Systematic (IUPAC) name | |
| 2-acetyloxybenzoic acid | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C9H8O4 |
| Mol. mass | 180.15742 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
N/A
[edit] Function
Cyclooxygenase inhibitor
[edit] General Properties
*Molecular Weight
180.15742
*Exact Mass
180.042259
*Molecular Formula
C9H8O4
*IUPAC NAME
2-acetyloxybenzoic acid
*Canonical Smiles
CC(=O)OC1=CC=CC=C1C(=O)O
*Isomeric Smiles
N/A
*XLogP
1.2
*Hydrogen bond donor
1
*Hydrogen bond acceptor
4
*Rotational Bond Count
3
*Topological Polar Surface Area
63.6
