5297393 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 17 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 5 6 6 7 7 8 8 9 10 11 12 12 13 14 14 15 15 16 11 9 6 9 17 5 10 16 7 8 11 18 12 19 10 14 13 13 20 21 15 22 16 23 24 1 2 1 1 1 1 2 2 2 1 1 1 2 1 1 1 2 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 17 18 19 20 21 22 23 24 2 5.4641 3.732 3.732 3.732 3.732 2.866 4.5981 4.5981 4.5981 2.866 4.5981 3.732 5.4641 5.4641 4.5981 3.1951 2.3291 5.135 5.135 3.732 6.001 6.001 4.5981 -3.25 -0.25 -0.25 1.75 2.75 -1.25 -1.75 -1.75 0.25 1.25 -2.75 -2.75 -3.25 1.75 2.75 3.25 0.06 -1.44 -1.44 -3.06 -3.87 1.44 3.06 3.87 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 6 6 7 8 10 11 12 14 15 5 10 16 7 8 11 12 14 13 13 15 16 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 249 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07320000400000000000000000000000000000000003C400000000000000001C000001E0218000000080AC196243CC092C00000AA0135775000920400278700189821B066D80860B2C1979194A108609C00C8C9871801000000000000020000000000000004000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(3-chlorophenyl)pyridazine-3-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(3-chlorophenyl)-3-pyridazinecarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-(3-chlorophenyl)pyridazine-3-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(3-chlorophenyl)pyridazine-3-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(3-chlorophenyl)pyridazine-3-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(3-chlorophenyl)pyridazine-3-carboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C11H8ClN3O/c12-8-3-1-4-9(7-8)14-11(16)10-5-2-6-13-15-10/h1-7H,(H,14,16) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 OVZJOGDDIIQZEC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 233.0355896 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C11H8ClN3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 233.65 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC(=CC(=C1)Cl)NC(=O)C2=NN=CC=C2 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC(=CC(=C1)Cl)NC(=O)C2=NN=CC=C2 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 54.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 233.0355896 16 0 0 0 0 0 0 0 1 -1