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Chemical ID: 6535487
Chemical ID:
6535487
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)Nc2cc3c4c(oc3c5c2cccc5)CC(CC4=O)(C)C
InChi [?]:
InChI=1/C25H23NO4S/c1-15-8-10-16(11-9-15)31(28,29)26-20-12-19-23-21(27)13-25(2,3)14-22(23)30-24(19)18-7-5-4-6-17(18)20/h4-12,26H,13-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,30,31,22,23,21,24,3,7,4,6,13,27,25,2,5,20,19,14,12,28,16,15,18,26,11,29,9,10,17,8/E:(2,3)(8,9)(10,11)(28,29)/CRV:31.6/rA:31nCCCCCCCSOONCCCCCOCCCCCCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;d13;s14;d15;s16;s14s17;d18;d12s19;s20;d21;s22;s19d23;s16;s25;s26;s15s27;d28;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H23NO4S |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5746 |
Area: | 604.402 |
Solvation: | -3.5354 |
Coulombic: | -28.9021 |
Bond Count [?]
All: | 35 |
Single: | 23 |
Double: | 12 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 433.52 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.38 |
LogP (Chemaxon): | 4.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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