Chemical Components in the PDB

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EZN : Summary

Code

EZN

One-letter code

X

Molecule name

[3-chloranyl-5-(1~{H}-indol-4-yl)phenyl]methanamine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 [3-chloranyl-5-(1~{H}-indol-4-yl)phenyl]methanamine

Formula

C15 H13 Cl N2

Formal charge

0

Molecular weight

256.73 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 NCc1cc(Cl)cc(c1)c2cccc3[nH]ccc23
SMILES OpenEye OEToolkits 2.0.6 c1cc(c2cc[nH]c2c1)c3cc(cc(c3)Cl)CN
Canonical SMILES CACTVS 3.385 NCc1cc(Cl)cc(c1)c2cccc3[nH]ccc23
Canonical SMILES OpenEye OEToolkits 2.0.6 c1cc(c2cc[nH]c2c1)c3cc(cc(c3)Cl)CN

IUPAC InChI

InChI=1S/C15H13ClN2/c16-12-7-10(9-17)6-11(8-12)13-2-1-3-15-14(13)4-5-18-15/h1-8,18H,9,17H2

IUPAC InChI key

MTQLCOHSTAREMM-UHFFFAOYSA-N
EZN

wwPDB Information

Atom count

31 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-05-11

Last modified at

2018-05-18

Status

Released

Obsoleted

Not Assigned