Chemical Components in the PDB

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9V7 : Summary

Code

9V7

One-letter code

X

Molecule name

phenylcarbamic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 phenylcarbamic acid
OpenEye OEToolkits 2.0.6 phenylcarbamic acid

Formula

C7 H7 N O2

Formal charge

0

Molecular weight

137.136 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 N(C(O)=O)c1ccccc1
SMILES CACTVS 3.385 OC(=O)Nc1ccccc1
SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)NC(=O)O
Canonical SMILES CACTVS 3.385 OC(=O)Nc1ccccc1
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)NC(=O)O

IUPAC InChI

InChI=1S/C7H7NO2/c9-7(10)8-6-4-2-1-3-5-6/h1-5,8H,(H,9,10)

IUPAC InChI key

PWXJULSLLONQHY-UHFFFAOYSA-N
9V7

wwPDB Information

Atom count

17 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-06-13

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned