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Chemical ID: 4568232
Chemical ID:
4568232
Name [?]:
None
SMILES [?]:
Cc1cc2c(c(c1)OCC(=O)Nc3ccc(cc3OC)OC)c4c(c(=O)o2)CCC4
InChi [?]:
InChI=1/C23H23NO6/c1-13-9-19(22-15-5-4-6-16(15)23(26)30-20(22)10-13)29-12-21(25)24-17-8-7-14(27-2)11-18(17)28-3/h7-11H,4-6,12H2,1-3H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,22,20,29,30,28,15,14,7,3,17,9,2,16,23,24,13,18,6,4,10,5,25,12,11,26,21,19,8,27/rA:30nCCCCCCCOCCONCCCCCCOCOCCCCOOCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s19;s16;s21;s5;d23;s24;d25;s4s25;s24;s28;s23s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H23NO6 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.01178 |
Area: | 620.407 |
Solvation: | -6.4984 |
Coulombic: | -61.1091 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 409.432 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.21 |
LogP (Chemaxon): | 3.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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