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Summary

Name:N-1-AMINOPYRENE
Formula:C16 H11 N
Formal charge:0
Molecular weight:217.265 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04pyren-1-amine
OpenEye OEToolkits1.5.0pyren-1-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04c4cc2ccc1ccc(N)c3c1c2c(cc3)c4
SMILES_CANONICALCACTVS3.341Nc1ccc2ccc3cccc4ccc1c2c34
SMILESCACTVS3.341Nc1ccc2ccc3cccc4ccc1c2c34
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc2ccc3ccc(c4c3c2c(c1)cc4)N
SMILESOpenEye OEToolkits1.5.0c1cc2ccc3ccc(c4c3c2c(c1)cc4)N
InChIInChI1.03InChI=1S/C16H11N/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H,17H2
InChIKeyInChI1.03YZVWKHVRBDQPMQ-UHFFFAOYSA-N
167327
PDB entries from 2020-08-05