46232175 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 8 8 7 6 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 3 3 4 4 4 5 5 6 6 7 8 9 9 10 11 11 12 12 13 14 14 15 15 16 17 18 18 19 19 20 20 21 7 12 8 16 20 5 7 8 6 11 9 14 10 13 10 23 22 15 24 13 16 25 17 26 17 27 18 28 19 29 21 30 21 31 32 1 1 2 1 2 1 2 1 1 2 1 2 1 1 2 1 1 1 1 2 1 1 1 1 2 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 25 26 27 28 29 30 31 32 5.5022 5.5138 3.7359 6.3961 7.2622 8.1282 6.3961 5.5022 8.1282 7.2622 7.2461 4.5961 4.5961 9.0382 8.1441 3.732 9.0462 2.8641 2 2.8718 2.0038 7.2622 8.6651 6.7056 4.0604 9.5715 8.1418 9.5844 2.8617 1.4619 2.8742 1.4681 -1.0556 2.0137 -2.045 0.4791 0.9791 0.4791 -0.5209 1.0138 -0.5209 -1.0209 2.0206 -0.5417 0.4999 0.986 2.5484 -1.045 2.0276 -0.5484 -1.0517 -2.5484 -2.0517 -1.6409 -0.8309 2.3244 0.812 0.6698 3.1684 2.3355 0.0716 -0.7438 -3.1684 -2.3638 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 3 3 4 4 4 5 5 6 6 7 8 9 11 12 14 15 16 18 19 20 7 12 16 20 5 7 8 6 11 9 14 10 13 10 15 13 17 17 18 19 21 21 0 Compound Canonicalized 5 2010.05.05 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 445 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 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07A30000000000000000000000000000000000000003C6081000000000000C1D400001E00000000000C0CC19E043C86D2081400A803B477440482882035222008D8213E6CD80E26F6C4B59B873968E4E011D8E90798C8F08EA0000300001800004000060000300000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(2-pyridyl)benzo[f]chromen-1-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(2-pyridinyl)-1-benzo[f][1]benzopyranone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 3-pyridin-2-ylbenzo[f]chromen-1-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 3-pyridin-2-ylbenzo[f]chromen-1-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 3-pyridin-2-ylbenzo[f]chromen-1-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(2-pyridyl)benzo[f]chromen-1-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C18H11NO2/c20-15-11-17(14-7-3-4-10-19-14)21-16-9-8-12-5-1-2-6-13(12)18(15)16/h1-11H InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ZTEHSCMHCBKLIH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 273.078978594 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C18H11NO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 273.3 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C(=C1)C=CC3=C2C(=O)C=C(O3)C4=CC=CC=N4 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C(=C1)C=CC3=C2C(=O)C=C(O3)C4=CC=CC=N4 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 39.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 273.078978594 21 0 0 0 0 0 0 0 1 -1