Chemical Components in the PDB

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ZF0 : Summary

Code

ZF0

One-letter code

X

Molecule name

1-(3-methylphenyl)methanamine

Systematic names

ProgramVersionName
ACDLabs 12.01 1-(3-methylphenyl)methanamine
OpenEye OEToolkits 1.7.0 (3-methylphenyl)methanamine

Formula

C8 H11 N

Formal charge

0

Molecular weight

121.18 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 NCc1cccc(c1)C
SMILES CACTVS 3.370 Cc1cccc(CN)c1
SMILES OpenEye OEToolkits 1.7.0 Cc1cccc(c1)CN
Canonical SMILES CACTVS 3.370 Cc1cccc(CN)c1
Canonical SMILES OpenEye OEToolkits 1.7.0 Cc1cccc(c1)CN

IUPAC InChI

InChI=1S/C8H11N/c1-7-3-2-4-8(5-7)6-9/h2-5H,6,9H2,1H3

IUPAC InChI key

RGXUCUWVGKLACF-UHFFFAOYSA-N
ZF0

wwPDB Information

Atom count

20 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-11-15

Last modified at

2012-01-13

Status

Released

Obsoleted

Not Assigned