9207 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 7 7 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 2 3 3 3 4 4 5 5 6 6 7 7 8 9 10 2 9 10 4 5 9 6 10 7 11 8 12 8 13 14 15 16 1 2 2 1 2 1 2 1 1 1 1 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 5.5321 5.5321 3.732 3.732 2.866 2.866 2 2 4.626 4.626 2.866 2.866 1.4631 1.4631 4.6188 4.6188 -0.5208 0.5208 -0.5 0.5 -1 1 -0.5 0.5 -1.0347 1.0347 -1.62 1.62 -0.81 0.81 -1.6546 1.6546 8 8 8 8 8 8 8 8 8 8 8 1 1 2 3 3 3 4 4 5 6 7 2 9 10 4 5 9 6 10 7 8 8 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 99.8 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 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 00000371807300000000000000000000000000000000000000003C4000000000000000B1F000001C00080000000C00C11A043C80D0000000A202306740009204002080001898202044980820A280919180A00060880008C8071080800E80000000001000000000000000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 phthalazine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 phthalazine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 phthalazine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 phthalazine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 phthalazine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 phthalazine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C8H6N2/c1-2-4-8-6-10-9-5-7(8)3-1/h1-6H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 LFSXCDWNBUNEEM-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 130.053098200 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C8H6N2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 130.15 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C=NN=CC2=C1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C=NN=CC2=C1 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 25.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 130.053098200 10 0 0 0 0 0 0 0 1 -1