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Chemical ID: 7549074
Chemical ID:
7549074
Name [?]:
None
SMILES [?]:
CC(=O)CC1c2c(ccc(c2OC)OC)-c3ccc4cc5c(cc4c3N1C)OCO5
InChi [?]:
InChI=1/C24H23NO5/c1-13(26)9-18-22-15(7-8-19(27-3)24(22)28-4)16-6-5-14-10-20-21(30-12-29-20)11-17(14)23(16)25(18)2/h5-8,10-11,18H,9,12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,27,15,13,18,17,8,9,4,20,23,29,2,19,7,16,24,5,10,21,22,6,25,11,26,3,14,12,30,28/rA:30cCCOCCCCCCCCOCOCCCCCCCCCCCNCOCO/rB:s1;d2;s2;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s10;s14;s7;s16;d17;s18;s19;d20;s21;d22;d19s23;d16s24;s5s25;s26;s22;s28;s21s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23NO5 |
All Atoms: | 53 |
Heavy Atoms: | 30 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.55272 |
Area: | 568.405 |
Solvation: | -6.65741 |
Coulombic: | -44.2673 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.35 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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