20370323 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 26 27 28 29 30 31 32 33 34 35 8 8 7 7 7 6 6 6 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 1 1 2 3 3 3 4 4 4 5 6 6 7 7 8 8 9 9 10 11 12 12 13 13 13 14 14 15 15 17 18 18 18 19 20 20 20 16 19 5 6 25 7 19 29 12 8 9 10 11 10 21 11 22 23 24 16 17 14 15 18 16 26 17 27 28 30 31 32 20 33 34 35 2 2 1 1 1 1 1 1 2 2 1 2 1 1 1 2 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 5 -1 3 12 17 16 2 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 26 27 28 29 30 31 32 33 34 35 4.5981 5.4641 3.732 3.732 2.866 3.732 3.732 4.5981 2.866 4.5981 2.866 2.866 2.866 3.732 2 3.732 2 2.866 4.5981 4.5981 5.135 2.3291 5.135 2.3291 4.269 4.269 1.4631 1.4631 3.1951 2.246 2.866 3.486 5.2181 4.5981 3.9781 -2 3.5 -0.5 3.5 -1 0.5 2.5 1 1 2 2 -2 -4 -3.5 -3.5 -2.5 -2.5 -5 4 5 0.69 0.69 2.31 2.31 -0.81 -3.81 -3.81 -2.19 3.81 -5 -5.62 -5 5 5.62 5 8 8 8 8 8 8 6 6 7 7 8 9 8 9 10 11 10 11 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 483 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0733000000000000000000000000000000000000000304000000000000000010000001E00180000000C0C81900032C082E20000A803A57250009204002102001888013064D8082022C09191842008609C00C8C9071000000000008000000000000001000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-[(2Z)-2-(4-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)hydrazino]phenyl]acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-[(2Z)-2-(4-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinyl]phenyl]acetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[4-[(2<I>Z</I>)-2-(4-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]phenyl]acetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-[(2Z)-2-(4-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]phenyl]acetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-[(2Z)-2-(4-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]phenyl]ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-[(N'Z)-N'-(6-keto-4-methyl-cyclohexa-2,4-dien-1-ylidene)hydrazino]phenyl]acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H15N3O2/c1-10-3-8-14(15(20)9-10)18-17-13-6-4-12(5-7-13)16-11(2)19/h3-9,17H,1-2H3,(H,16,19)/b18-14- InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 KDLUSTIBKFSVAB-JXAWBTAJSA-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 2021.05.07 269.116426730 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C15H15N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 269.30 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=O)C(=NNC2=CC=C(C=C2)NC(=O)C)C=C1 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=O)/C(=N\NC2=CC=C(C=C2)NC(=O)C)/C=C1 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 70.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 269.116426730 20 0 0 0 1 1 0 0 1 -1