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Chemical ID: 7080242
Chemical ID:
7080242
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)OCCC(C)C)CCOC
InChi [?]:
InChI=1/C26H29NO5/c1-16(2)10-12-31-19-7-5-6-18(15-19)23-22-24(28)20-14-17(3)8-9-21(20)32-25(22)26(29)27(23)11-13-30-4/h5-9,14-16,23H,10-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:27,28,1,32,19,18,20,3,4,25,29,24,30,7,22,26,2,17,21,6,5,10,16,8,11,13,15,9,14,31,23,12/E:(1,2)/rA:32cCCCCCCCCOCCOCONCCCCCCCOCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s21;s23;s24;s25;s26;s26;s15;s29;s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H29NO5 |
All Atoms: | 61 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.6953 |
Area: | 683.449 |
Solvation: | -5.39096 |
Coulombic: | -51.454 |
Bond Count [?]
All: | 35 |
Single: | 26 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 435.512 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.44 |
LogP (Chemaxon): | 4.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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