Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

0RW

Summary
Name:3-methyl-2H-indazole
Formula:C8 H8 N2
Formal charge:0
Formula weight:132.163 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-methyl-2H-indazole
OpenEye OEToolkits1.7.63-methyl-2H-indazole

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n1c2ccccc2c(n1)C
InChIInChI1.03InChI=1S/C8H8N2/c1-6-7-4-2-3-5-8(7)10-9-6/h2-5H,1H3,(H,9,10)
InChIKeyInChI1.03FWOPJXVQGMZKEP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370Cc1[nH]nc2ccccc12
SMILESCACTVS3.370Cc1[nH]nc2ccccc12
SMILES_CANONICALOpenEye OEToolkits1.7.6Cc1c2ccccc2n[nH]1
SMILESOpenEye OEToolkits1.7.6Cc1c2ccccc2n[nH]1

227344

PDB entries from 2024-11-13

PDB statisticsPDBj update infoContact PDBjnumon