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124

Summary
Name:2-(2-HYDROXY-PHENYL)-1H-INDOLE-5-CARBOXAMIDINE
Formula:C15 H14 N3 O
Formal charge:1
Formula weight:252.291 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04amino[2-(2-hydroxyphenyl)-1H-indol-5-yl]methaniminium
OpenEye OEToolkits1.5.0[amino-[2-(2-hydroxyphenyl)-1H-indol-5-yl]methylidene]azanium

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Oc3ccccc3c2cc1cc(ccc1n2)\C(=[NH2+])N
SMILES_CANONICALCACTVS3.341NC(=[NH2+])c1ccc2[nH]c(cc2c1)c3ccccc3O
SMILESCACTVS3.341NC(=[NH2+])c1ccc2[nH]c(cc2c1)c3ccccc3O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(c(c1)c2cc3cc(ccc3[nH]2)C(=[NH2+])N)O
SMILESOpenEye OEToolkits1.5.0c1ccc(c(c1)c2cc3cc(ccc3[nH]2)C(=[NH2+])N)O
InChIInChI1.03InChI=1S/C15H13N3O/c16-15(17)9-5-6-12-10(7-9)8-13(18-12)11-3-1-2-4-14(11)19/h1-8,18-19H,(H3,16,17)/p+1
InChIKeyInChI1.03JPGNPKIYCTXJPG-UHFFFAOYSA-O

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PDB entries from 2024-04-24

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