23724367 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 9 8 8 8 7 6 6 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 2 2 3 4 5 5 5 6 6 6 7 7 7 8 8 9 11 11 12 13 13 15 15 16 16 17 17 18 18 18 19 19 20 21 22 20 9 14 10 14 8 12 24 9 10 13 10 12 14 11 15 16 17 18 23 19 25 20 26 21 27 22 28 29 30 31 21 32 22 33 34 1 1 1 2 2 1 1 1 1 1 2 1 2 1 2 1 2 1 1 1 1 1 2 1 1 1 2 1 1 1 1 2 1 1 1 1 7 10 14 12 5 23 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 26 27 28 29 30 31 32 33 34 8.1301 4.666 4.666 6.3981 6.3981 3.8 5.5321 7.2641 3.8 4.666 8.1301 6.3981 2.9061 5.5321 7.2641 2.9061 8.9962 8.1301 2 8.1301 2 8.9962 6.935 5.8612 2.9132 6.7272 2.9132 9.5331 7.5101 8.1301 8.7501 1.4643 1.4643 9.5331 3.0173 -2.9827 0.0173 -2.9827 0.0173 -1.4827 -1.4827 0.5173 -2.4827 -0.9827 0.0173 -0.9827 -0.948 -2.4827 1.5173 -3.0173 0.5173 -0.9827 -1.4619 2.0173 -2.5035 1.5173 -1.2927 0.3273 -0.328 1.8273 -3.6373 0.2073 -0.9827 -1.6027 -0.9827 -1.1498 -2.8156 1.8273 8 8 8 8 8 8 8 8 8 8 8 8 6 6 8 8 9 11 13 15 16 17 19 20 9 13 11 15 16 17 19 20 21 22 21 22 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 490 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 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 00000371C07A3100000000000000000000000000000000000000346080000000000000914000001F00100000000C0CC1980C32CE82C004008802A4D648008208002522000888810E6CC80C2636CCB59B863B68E4F01148E9C798CCA0CE00000000000A00000000000000140000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (3E)-3-[(5-fluoro-2-methyl-anilino)methylene]chromane-2,4-dione IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (3E)-3-[(5-fluoro-2-methylanilino)methylidene]-3,4-dihydro-2H-1-benzopyran-2,4-dione IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (3<I>E</I>)-3-[(5-fluoro-2-methylanilino)methylidene]chromene-2,4-dione IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (3E)-3-[(5-fluoro-2-methylanilino)methylidene]chromene-2,4-dione IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (3E)-3-[[(5-fluoranyl-2-methyl-phenyl)amino]methylidene]chromene-2,4-dione IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (3E)-3-[(5-fluoro-2-methyl-anilino)methylene]chroman-2,4-quinone InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C17H12FNO3/c1-10-6-7-11(18)8-14(10)19-9-13-16(20)12-4-2-3-5-15(12)22-17(13)21/h2-9,19H,1H3/b13-9+ InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 LCTBLTPETMTJMY-UKTHLTGXSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 297.08012141 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C17H12FNO3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 297.28 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C=C(C=C1)F)NC=C2C(=O)C3=CC=CC=C3OC2=O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C=C(C=C1)F)N/C=C/2\C(=O)C3=CC=CC=C3OC2=O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 55.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 297.08012141 22 0 0 0 1 1 0 0 1 -1