|
CWJ : Summary
Code
|
CWJ
|
One-letter code
|
X
|
Molecule name
|
5-methoxy-2-methyl-1H-indole
|
Systematic names
|
|
Formula
|
C10 H11 N O
|
Formal charge
|
0
|
Molecular weight
|
161.2 Da
|
SMILES
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
12.01 |
c12ccc(cc1cc(C)n2)OC |
SMILES
|
CACTVS |
3.385 |
COc1ccc2[nH]c(C)cc2c1 |
SMILES
|
OpenEye OEToolkits |
2.0.6 |
Cc1cc2cc(ccc2[nH]1)OC |
Canonical SMILES
|
CACTVS |
3.385 |
COc1ccc2[nH]c(C)cc2c1 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.6 |
Cc1cc2cc(ccc2[nH]1)OC |
|
IUPAC InChI | InChI=1S/C10H11NO/c1-7-5-8-6-9(12-2)3-4-10(8)11-7/h3-6,11H,1-2H3 |
IUPAC InChI key | VSWGLJOQFUMFOQ-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count
|
23 (12 without Hydrogen)
|
Polymer type
|
Bound ligand
|
Type description
|
NON-POLYMER
|
Type code
|
HETAIN
|
Is modified
|
No
|
Standard parent
|
Not Assigned
|
Defined at
|
2017-10-05
|
Last modified at
|
2017-12-22
|
Status
|
Released
|
Obsoleted
|
Not Assigned
|
|