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Chemical ID: 7352800
Chemical ID:
7352800
Name [?]:
None
SMILES [?]:
Cc1cc(=O)oc2c1c(cc3c2CCC(O3)(C)C)OCC(=O)NCCCOC
InChi [?]:
InChI=1/C21H27NO6/c1-13-10-18(24)27-20-14-6-7-21(2,3)28-15(14)11-16(19(13)20)26-12-17(23)22-8-5-9-25-4/h10-11H,5-9,12H2,1-4H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,17,18,28,25,13,14,24,26,3,10,20,2,12,11,9,21,4,8,7,15,23,22,5,27,19,6,16/E:(2,3)/rA:28nCCCCOOCCCCCCCCCOCCOCCONCCCOC/rB:s1;d2;s3;d4;s4;s6;s2s7;d8;s9;d10;d7s11;s12;s13;s14;s11s15;s15;s15;s9;s19;s20;d21;s21;s23;s24;s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H27NO6 |
All Atoms: | 55 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.82673 |
Area: | 613.827 |
Solvation: | -6.51895 |
Coulombic: | -61.0301 |
Bond Count [?]
All: | 30 |
Single: | 24 |
Double: | 6 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.38 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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