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Chemical ID: 7352793
Chemical ID:
7352793
Name [?]:
None
SMILES [?]:
Cc1cc(=O)oc2c1c(cc3c2CCC(O3)(C)C)OCC(=O)NCCOC
InChi [?]:
InChI=1/C20H25NO6/c1-12-9-17(23)26-19-13-5-6-20(2,3)27-14(13)10-15(18(12)19)25-11-16(22)21-7-8-24-4/h9-10H,5-8,11H2,1-4H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,17,18,27,13,14,24,25,3,10,20,2,12,11,9,21,4,8,7,15,23,22,5,26,19,6,16/E:(2,3)/rA:27nCCCCOOCCCCCCCCCOCCOCCONCCOC/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25NO6 |
All Atoms: | 52 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.12489 |
Area: | 583.843 |
Solvation: | -6.47119 |
Coulombic: | -60.9903 |
Bond Count [?]
All: | 29 |
Single: | 23 |
Double: | 6 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.02 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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