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Chemical ID: 7080532
Chemical ID:
7080532
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)C(=O)OC)CCCOC
InChi [?]:
InChI=1/C24H23NO6/c1-14-5-10-18-17(13-14)21(26)19-20(15-6-8-16(9-7-15)24(28)30-3)25(11-4-12-29-2)23(27)22(19)31-18/h5-10,13,20H,4,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,31,26,28,3,18,22,19,21,4,27,29,7,2,17,20,6,5,10,16,8,11,13,23,15,9,14,24,30,25,12/E:(6,7)(8,9)/rA:31cCCCCCCCCOCCOCONCCCCCCCCOOCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s20;d23;s23;s25;s15;s27;s28;s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23NO6 |
All Atoms: | 54 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.929 |
Area: | 660.016 |
Solvation: | -5.57143 |
Coulombic: | -62.5513 |
Bond Count [?]
All: | 34 |
Single: | 24 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 421.443 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 2.96 |
LogP (Chemaxon): | 2.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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