Chemical Components in the PDB

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PH3 : Summary

Code

PH3

One-letter code

X

Molecule name

N-(CHLOROPHENYL)-N'-HYDROXYGUANIDINE

Systematic names

ProgramVersionName
ACDLabs 10.04 1-(4-chlorophenyl)-3-hydroxyguanidine
OpenEye OEToolkits 1.5.0 1-(4-chlorophenyl)-3-hydroxy-guanidine

Formula

C7 H8 Cl N3 O

Formal charge

0

Molecular weight

185.611 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Clc1ccc(NC(=[N@H])NO)cc1
SMILES CACTVS 3.341 ONC(=N)Nc1ccc(Cl)cc1
SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1NC(=N)NO)Cl
Canonical SMILES CACTVS 3.341 ONC(=N)Nc1ccc(Cl)cc1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1NC(=N)NO)Cl

IUPAC InChI

InChI=1S/C7H8ClN3O/c8-5-1-3-6(4-2-5)10-7(9)11-12/h1-4,12H,(H3,9,10,11)

IUPAC InChI key

JYBXKTLYOMPMQY-UHFFFAOYSA-N
PH3

wwPDB Information

Atom count

20 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-12-16

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned