13000765 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 17 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 2 2 2 3 4 5 6 6 7 7 8 8 9 10 11 11 12 12 13 13 14 14 15 15 16 17 18 16 3 4 6 9 5 10 7 8 9 11 10 12 13 14 15 19 16 20 17 21 18 22 17 23 18 24 25 1 1 1 1 2 2 1 2 1 1 1 2 1 1 1 2 1 2 1 2 1 2 1 1 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 25 2 6.3961 7.1332 6.3961 5.5301 5.5301 5.7393 4.6641 6.728 4.6641 5.1186 3.7702 7.1646 3.7702 5.5332 2.8641 6.5631 2.8641 4.5027 3.7773 7.7819 3.7773 5.1673 6.818 2.3284 0.3869 0.911 0.2439 1.911 2.411 0.411 -0.5608 0.911 -0.6638 1.911 -1.3896 0.3764 -1.6028 2.4457 -2.3384 0.8902 -2.4457 1.9318 -1.3182 -0.2436 -1.6599 3.0657 -2.8388 -3.0109 2.2439 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 2 3 4 5 6 6 7 7 8 8 9 10 11 12 13 14 15 16 3 4 6 9 5 10 7 8 9 11 10 12 13 14 15 16 17 18 17 18 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 326 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371807380000400000000000000000000000001600000003C6080000000000058B1FC00001C02080000000C0A811E2030C0F0000000A203246240009204002007001898203066980820A281D3D180A40060880008C8071080C00E00004020000200000000804000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-chloroindazolo[2,3-c][1,2,3]benzotriazine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-chloroindazolo[2,3-c][1,2,3]benzotriazine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-chloroindazolo[2,3-c][1,2,3]benzotriazine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-chloroindazolo[2,3-c][1,2,3]benzotriazine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-chloranylindazolo[2,3-c][1,2,3]benzotriazine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-chloroindazolo[2,3-c][1,2,3]benzotriazine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C13H7ClN4/c14-8-5-6-11-10(7-8)13-9-3-1-2-4-12(9)16-18(13)17-15-11/h1-7H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 HSPWKJSACGMLHV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 254.0359239 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C13H7ClN4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 254.67 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC2=C3C4=C(C=CC(=C4)Cl)N=NN3N=C2C=C1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC2=C3C4=C(C=CC(=C4)Cl)N=NN3N=C2C=C1 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 43.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 254.0359239 18 0 0 0 0 0 0 0 1 -1