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Chemical ID: 7080192
Chemical ID:
7080192
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1OCC)C2c3c(=O)c4ccccc4oc3C(=O)N2CCOC
InChi [?]:
InChI=1/C24H25NO6/c1-4-29-18-11-10-15(14-19(18)30-5-2)21-20-22(26)16-8-6-7-9-17(16)31-23(20)24(27)25(21)12-13-28-3/h6-11,14,21H,4-5,12-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,31,2,11,19,20,18,21,6,5,28,29,8,7,17,22,4,9,14,13,15,24,25,27,16,26,30,3,10,23/rA:31cCCOCCCCCCOCCCCCOCCCCCCOCCONCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s7;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;d14s23;s24;d25;s13s25;s27;s28;s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H25NO6 |
All Atoms: | 56 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.04033 |
Area: | 651.653 |
Solvation: | -7.251 |
Coulombic: | -57.1755 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 423.458 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 2.64 |
LogP (Chemaxon): | 2.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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