BIAdb CID531103 1755
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=1755 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=1755 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb CID531103 1755
| |
| Systematic (IUPAC) name | |
| 3-methylbut-2-enyl 2-chlorobenzoate | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C12H13ClO2 |
| Mol. mass | 224.68342 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
N/A
[edit] Function
Unknown
[edit] General Properties
*Molecular Weight
224.68342
*Exact Mass
224.060407
*Molecular Formula
C12H13ClO2
*IUPAC NAME
3-methylbut-2-enyl 2-chlorobenzoate
*Canonical Smiles
CC(=CCOC(=O)C1=CC=CC=C1Cl)C
*Isomeric Smiles
N/A
*XLogP
3.9
*Hydrogen bond donor
0
*Hydrogen bond acceptor
2
*Rotational Bond Count
4
*Topological Polar Surface Area
26.3
