11362 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 33 17 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 3 3 3 4 4 5 5 6 7 8 8 9 9 10 10 11 11 12 12 13 13 14 15 2 4 5 6 7 16 6 8 7 9 10 11 12 17 13 18 14 19 15 20 14 21 15 22 23 24 1 1 1 1 1 1 1 2 1 2 2 2 1 1 1 1 1 1 1 1 2 1 2 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 4.666 4.666 5.5321 3.8 5.5321 3.8 6.426 2.9061 6.426 2.9061 7.3321 2 7.3321 2 4.666 6.4188 2.9132 6.4188 2.9132 7.8678 1.4643 7.8678 1.4643 0.81 1.81 -1.19 0.31 0.31 -0.69 -0.69 0.8447 0.8447 -1.2247 -1.2247 0.3308 0.3308 -0.7108 -0.7108 -1.81 1.4646 1.4646 -1.8446 -1.8446 0.6429 0.6429 -1.0229 -1.0229 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 6 7 8 9 10 11 12 13 6 8 7 9 10 11 12 13 14 15 14 15 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 214 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 00000371C07200000400000040000000000000000000000000003C6080000000000000B14000001C0110000000080881100030C082C00000800024424000820000210200088C00006488082062C09191842008609000C8C8071000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 10-chloro-5H-phenarsazinine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 10-chloro-5H-phenarsazinine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 10-chloro-5<I>H</I>-phenarsazinine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 10-chloro-5H-phenarsazinine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 10-chloranyl-5H-phenarsazinine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 10-chloro-5H-phenarsazinine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C12H9AsClN/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8,15H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 PBNSPNYJYOYWTA-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 276.963947 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C12H9AsClN Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 277.58 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)NC3=CC=CC=C3[As]2Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)NC3=CC=CC=C3[As]2Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 12 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 276.963947 15 0 0 0 0 0 0 0 1 -1