53364501 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 17 8 8 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 5 6 6 6 7 8 8 8 9 9 9 10 10 11 11 13 13 13 15 16 16 17 17 18 18 19 10 11 12 14 7 15 12 8 9 12 14 10 20 21 11 22 23 24 25 26 27 14 15 16 17 18 28 19 29 19 30 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 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 2 7.7654 5.855 5.5443 7.5013 7.1441 6.1279 8.1226 6.4763 8.4333 6.787 6.8335 4.5981 5.5443 4.5981 3.732 3.732 2.866 2.866 8.1432 8.7364 5.9294 6.0937 8.9802 8.8158 6.7664 6.1731 3.732 3.732 2.3291 -2.9065 2.9065 -0.1513 -2.7112 -0.6893 1.0055 -1.9065 1.2117 1.7498 2.1622 2.7003 0.055 -1.4065 -1.1018 -2.4065 -0.9065 -2.9065 -1.4065 -2.4065 0.592 1.1243 2.0418 1.2619 1.8702 2.6501 3.32 2.7877 -0.2865 -3.5265 -1.0965 8 8 8 8 8 8 8 8 8 8 4 4 7 13 13 13 15 16 17 18 7 15 14 14 15 16 17 18 19 19 0 Compound Canonicalized 5 2011.09.13 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 338 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07338000400000000000000000000000001600000003C400000000000005801F000001E02040000000C06E19A26308ED3100400A902A0725A008208002425002898212E4EDA0E27BE85B79B8B33E067E61D98EDC798C8208E04000001000800000800000200100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (6-chloro-1,2-benzoxazol-3-yl) morpholine-4-carboxylate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-morpholinecarboxylic acid (6-chloro-1,2-benzoxazol-3-yl) ester IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (6-chloro-1,2-benzoxazol-3-yl) morpholine-4-carboxylate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (6-chloro-1,2-benzoxazol-3-yl) morpholine-4-carboxylate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (6-chloranyl-1,2-benzoxazol-3-yl) morpholine-4-carboxylate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 morpholine-4-carboxylic acid (6-chloroindoxazen-3-yl) ester InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C12H11ClN2O4/c13-8-1-2-9-10(7-8)19-14-11(9)18-12(16)15-3-5-17-6-4-15/h1-2,7H,3-6H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 DQZUSDBQCBLETH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 282.0407345 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C12H11ClN2O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 282.68 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1COCCN1C(=O)OC2=NOC3=C2C=CC(=C3)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1COCCN1C(=O)OC2=NOC3=C2C=CC(=C3)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 64.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 282.0407345 19 0 0 0 0 0 0 0 1 -1