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Chemical ID: 7702956
Chemical ID:
7702956
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1C)NS(=O)(=O)c2cc(ccc2Cl)C(=O)Nc3ccc(cc3OC)OC
InChi [?]:
InChI=1/C23H23ClN2O5S/c1-14-5-7-17(11-15(14)2)26-32(28,29)22-12-16(6-9-19(22)24)23(27)25-20-10-8-18(30-3)13-21(20)31-4/h5-13,26H,1-4H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,8,32,30,3,16,4,25,17,24,6,14,27,2,7,15,5,26,18,23,28,13,20,19,22,9,21,11,12,31,29,10/E:(28,29)/CRV:32.6/rA:32nCCCCCCCCNSOOCCCCCCClCONCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s18;s15;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;s29;s26;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H23ClN2O5S |
All Atoms: | 55 |
Heavy Atoms: | 32 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.6719 |
Area: | 678.668 |
Solvation: | -5.2948 |
Coulombic: | -48.1443 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.01 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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