Chemical Components in the PDB

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0XM : Summary

Code

0XM

One-letter code

X

Molecule name

1,1-diphenylmethanamine

Systematic names

ProgramVersionName
ACDLabs 12.01 1,1-diphenylmethanamine
OpenEye OEToolkits 1.7.6 diphenylmethanamine

Formula

C13 H13 N

Formal charge

0

Molecular weight

183.249 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1(ccccc1)C(N)c2ccccc2
SMILES CACTVS 3.370 NC(c1ccccc1)c2ccccc2
SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)C(c2ccccc2)N
Canonical SMILES CACTVS 3.370 NC(c1ccccc1)c2ccccc2
Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)C(c2ccccc2)N

IUPAC InChI

InChI=1S/C13H13N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,14H2

IUPAC InChI key

MGHPNCMVUAKAIE-UHFFFAOYSA-N
0XM

wwPDB Information

Atom count

27 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-08-29

Last modified at

2013-07-26

Status

Released

Obsoleted

Not Assigned