62547 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 7 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 3 4 4 4 5 6 7 7 8 8 9 9 10 11 11 12 13 10 23 24 5 6 7 4 5 14 15 6 16 17 8 9 10 11 12 18 13 19 12 13 20 21 22 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 1 2 1 1 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 23 24 4.666 3.8 4.3009 3.3073 4.666 2.9061 3.8 5.5321 2 4.666 2.9061 5.5321 2 4.9025 4.2315 3.401 2.7121 6.069 1.4643 2.9132 6.069 1.4643 5.203 4.1291 -1.8169 0.6831 2.1074 2.1269 1.1831 1.2177 -0.3169 0.6831 0.7039 -0.8169 -0.8516 -0.3169 -0.3378 2.2573 2.7235 2.7398 2.3004 0.9931 1.0159 -1.4716 -0.6269 -0.6498 -2.1269 -2.1269 8 8 8 8 8 8 8 8 8 8 8 2 2 2 5 6 7 7 8 9 10 11 5 6 7 8 9 10 11 12 13 12 13 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 201 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0720000000000000000000000000000000180000000306000000000000060C15000001C00100000000C0881180030C0C040000080022442400082000020020008880000648808202280919180200060900008C8071080C00E88000240001200001000048000240001000008000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,2-dihydroacenaphthylen-5-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,2-dihydroacenaphthylen-5-amine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,2-dihydroacenaphthylen-5-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,2-dihydroacenaphthylen-5-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,2-dihydroacenaphthylen-5-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 acenaphthen-5-ylamine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C12H11N/c13-11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5,13H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 JEUAWMJVEYFVNJ-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 169.089149355 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C12H11N Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 169.22 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CC2=CC=C(C3=CC=CC1=C23)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CC2=CC=C(C3=CC=CC1=C23)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 26 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 169.089149355 13 0 0 0 0 0 0 0 1 -1