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Chemical ID: 7678043
Chemical ID:
7678043
Name [?]:
None
SMILES [?]:
CCOC(=O)c1c(c(sc1NC2c3ccccc3C(=O)O2)C(=O)OCC)C
InChi [?]:
InChI=1/C19H19NO6S/c1-4-24-18(22)13-10(3)14(19(23)25-5-2)27-16(13)20-15-11-8-6-7-9-12(11)17(21)26-15/h6-9,15,20H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,26,27,2,25,15,16,14,17,7,13,18,6,8,12,10,19,4,22,11,20,5,23,3,24,21,9/rA:27cCCOCOCCCSCNCCCCCCCCOOCOOCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d6s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s18;d19;s12s19;s8;d22;s22;s24;s25;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19NO6S |
All Atoms: | 46 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.4136 |
Area: | 618.432 |
Solvation: | -4.04726 |
Coulombic: | -71.4422 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.57 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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