2726311 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 17 8 8 8 7 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 5 5 5 6 7 7 7 8 10 10 11 11 12 12 15 15 15 16 16 16 13 6 8 9 14 14 14 15 16 9 8 9 10 11 12 17 13 18 13 19 20 21 22 23 24 25 1 1 1 1 1 2 1 1 1 2 2 1 1 1 2 1 2 1 1 1 1 1 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 2 5.5443 5.855 7.5013 7.1441 6.1279 4.5981 4.5981 5.5443 3.732 3.732 2.866 2.866 6.8335 8.1226 6.4763 3.732 3.732 2.3291 8.2505 8.7293 7.9948 6.9378 6.0622 6.0148 -2.3282 -2.1329 0.4271 -0.111 1.5838 -1.3282 -0.8281 -1.8282 -0.5234 -0.3281 -2.3282 -0.8281 -1.8282 0.6333 1.7901 2.3282 0.2919 -2.9482 -0.5181 1.1834 1.9179 2.3967 2.7422 2.7896 1.9141 8 8 8 8 8 8 8 8 8 8 2 2 6 7 7 7 8 10 11 12 6 8 9 8 9 10 11 12 13 13 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 275 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 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 00000371C073300004000000000000000000000000016000000030000000000000005801F000001E02040000000C06819A24328ED3100400A902A0725A008208002425002898212E4EDA0C27BE85B79B8833E067E21D08EDC798C8208E04000001000800000800000200100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (6-chloro-1,2-benzoxazol-3-yl) N,N-dimethylcarbamate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N,N-dimethylcarbamic 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) <I>N</I>,<I>N</I>-dimethylcarbamate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (6-chloro-1,2-benzoxazol-3-yl) N,N-dimethylcarbamate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (6-chloranyl-1,2-benzoxazol-3-yl) N,N-dimethylcarbamate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N,N-dimethylcarbamic acid (6-chloroindoxazen-3-yl) ester InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C10H9ClN2O3/c1-13(2)10(14)15-9-7-4-3-6(11)5-8(7)16-12-9/h3-5H,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 IAGSCLYNFVGIIM-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 240.0301698 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C10H9ClN2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 240.64 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN(C)C(=O)OC1=NOC2=C1C=CC(=C2)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN(C)C(=O)OC1=NOC2=C1C=CC(=C2)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 55.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 240.0301698 16 0 0 0 0 0 0 0 1 -1