Chemical Components in the PDB

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EQT : Summary

Code

EQT

One-letter code

X

Molecule name

4-chloranyl-1~{H}-indazol-3-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 4-chloranyl-1~{H}-indazol-3-amine

Formula

C7 H6 Cl N3

Formal charge

0

Molecular weight

167.596 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Nc1n[nH]c2cccc(Cl)c12
SMILES OpenEye OEToolkits 2.0.6 c1cc2c(c(c1)Cl)c(n[nH]2)N
Canonical SMILES CACTVS 3.385 Nc1n[nH]c2cccc(Cl)c12
Canonical SMILES OpenEye OEToolkits 2.0.6 c1cc2c(c(c1)Cl)c(n[nH]2)N

IUPAC InChI

InChI=1S/C7H6ClN3/c8-4-2-1-3-5-6(4)7(9)11-10-5/h1-3H,(H3,9,10,11)

IUPAC InChI key

QPLXQNVPEHUPTR-UHFFFAOYSA-N
EQT

wwPDB Information

Atom count

17 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-04-10

Last modified at

2018-05-25

Status

Released

Obsoleted

Not Assigned