BIAdb 4-benzylisoquinoline 1049
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=1049 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=1049 Link to BIAdb Database] | ||
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Current revision
| BIAdb 4-benzylisoquinoline 1049
| |
| Systematic (IUPAC) name | |
| 4-(phenylmethyl)isoquinoline | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C16H13N |
| Mol. mass | 219.28112 |
| 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
219.28112
*Exact Mass
219.104799
*Molecular Formula
C16H13N
*IUPAC NAME
4-(phenylmethyl)isoquinoline
*Canonical Smiles
C1=CC=C(C=C1)CC2=CN=CC3=CC=CC=C32
*Isomeric Smiles
N/A
*XLogP
4
*Hydrogen bond donor
0
*Hydrogen bond acceptor
1
*Rotational Bond Count
2
*Topological Polar Surface Area
12.9
