![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
PCI : Summary
Code ![](/pdbe/static/images/help.png)
|
PCI
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
PENTACHLOROPHENOL
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C6 H Cl5 O
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
266.337 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
Clc1c(O)c(Cl)c(Cl)c(Cl)c1Cl |
SMILES
|
CACTVS |
3.341 |
Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)O |
Canonical SMILES
|
CACTVS |
3.341 |
Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)O |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H |
IUPAC InChI key ![](/pdbe/static/images/help.png) | IZUPBVBPLAPZRR-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
13 (12 without Hydrogen)
|
Polymer type ![](/pdbe/static/images/help.png)
|
Bound ligand
|
Type description ![](/pdbe/static/images/help.png)
|
NON-POLYMER
|
Type code ![](/pdbe/static/images/help.png)
|
HETAIN
|
Is modified ![](/pdbe/static/images/help.png)
|
No
|
Standard parent ![](/pdbe/static/images/help.png)
|
Not Assigned
|
Defined at ![](/pdbe/static/images/help.png)
|
2005-01-14
|
Last modified at ![](/pdbe/static/images/help.png)
|
2011-06-04
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|