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1.Properties of Sulbenicillin sodium
(1)ACD/LogP: -0.1 (2)ACD/LogD (pH 5.5): -4.84(3)ACD/LogD (pH 7.4): -4.85
(4)ACD/BCF (pH 5.5): 1.00 (5)ACD/BCF (pH 7.4): 1.00
(6)ACD/KOC (pH 5.5): 1.00 (7)ACD/KOC (pH 7.4): 1.00
(8)#H bond acceptors: 9 (9)#H bond donors: 3
(10)#Freely Rotating Bonds: 5 (11)Polar Surface Area: 165.97 ?2
2.Structure descriptors of Sulbenicillin sodium
SMILES:[Na+].[Na+].O=C([O-])C2N3C(=O)C(NC(=O)C(c1ccccc1)S([O-])(=O)=O)C3SC2(C)C
Std. InChI:InChI=1S/C16H18N2O7S2.2Na/c1-16(2)11(15(21)22)18-13(20)9(14(18)26-16)17-12(19)10(27(23,24)25)8-6-4-3-5-7-8;;/h3-7,9-11,14H,1-2H3,(H,17,19)(H,21,22)(H,23,24,25);;/q;2*+1/p-2
Std. InChIKey:FWRNIJIOFYDBES-UHFFFAOYSA-L
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