188973 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 8 8 8 7 7 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 4 5 5 6 6 6 7 7 8 9 9 10 11 12 8 18 10 19 11 22 5 7 17 20 21 7 8 9 13 14 10 12 15 11 12 16 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 2 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 4.269 2.5369 2.5369 6.8671 7.7331 5.135 6.001 4.269 5.135 3.403 3.403 4.269 6.3996 5.6025 5.672 4.269 6.8671 3.732 2 8.27 7.7331 2.5369 1.655 0.655 -1.345 0.155 0.655 0.155 0.655 0.655 -0.845 0.155 -0.845 -1.345 1.13 1.13 -1.155 -1.965 -0.465 1.965 0.345 0.345 1.275 -1.965 8 8 8 8 8 8 6 6 8 9 10 11 8 9 10 12 11 12 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 145 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0633000000000000000000000000000000000000000300000000000000000010000001E00180800000C04C1980430068062020080022042000082000020200218A880068C8809272282911380700167C015099807B0F0340E20000108000840004000021000108000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(hydrazinomethyl)benzene-1,2,3-triol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(hydrazinylmethyl)benzene-1,2,3-triol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(hydrazinylmethyl)benzene-1,2,3-triol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(hydrazinylmethyl)benzene-1,2,3-triol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(diazanylmethyl)benzene-1,2,3-triol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(hydrazinomethyl)pyrogallol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C7H10N2O3/c8-9-3-4-1-2-5(10)7(12)6(4)11/h1-2,9-12H,3,8H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 BARUGVIPWPSKOJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 170.06914219 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C7H10N2O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 170.17 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC(=C(C(=C1CNN)O)O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC(=C(C(=C1CNN)O)O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 98.7 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 170.06914219 12 0 0 0 0 0 0 0 1 -1