Chemical Components in the PDB

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F02 : Summary

Code

F02

One-letter code

X

Molecule name

4-(diethylamino)benzohydrazide

Systematic names

ProgramVersionName
ACDLabs 12.01 4-(diethylamino)benzohydrazide
OpenEye OEToolkits 1.7.0 4-(diethylamino)benzohydrazide

Formula

C11 H17 N3 O

Formal charge

0

Molecular weight

207.272 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(c1ccc(N(CC)CC)cc1)NN
SMILES CACTVS 3.370 CCN(CC)c1ccc(cc1)C(=O)NN
SMILES OpenEye OEToolkits 1.7.0 CCN(CC)c1ccc(cc1)C(=O)NN
Canonical SMILES CACTVS 3.370 CCN(CC)c1ccc(cc1)C(=O)NN
Canonical SMILES OpenEye OEToolkits 1.7.0 CCN(CC)c1ccc(cc1)C(=O)NN

IUPAC InChI

InChI=1S/C11H17N3O/c1-3-14(4-2)10-7-5-9(6-8-10)11(15)13-12/h5-8H,3-4,12H2,1-2H3,(H,13,15)

IUPAC InChI key

PUNSOBLTEWFAMJ-UHFFFAOYSA-N
F02

wwPDB Information

Atom count

32 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-10-26

Last modified at

2011-10-14

Status

Released

Obsoleted

Not Assigned