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Chemical ID: 5657340
Chemical ID:
5657340
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CCC(=O)OCc2cc(=O)oc3c2c4ccccc4cc3
InChi [?]:
InChI=1/C23H18O4/c24-21(13-10-16-6-2-1-3-7-16)26-15-18-14-22(25)27-20-12-11-17-8-4-5-9-19(17)23(18)20/h1-9,11-12,14H,10,13,15H2
InChi Info:
AuxInfo=1/0/N:1,2,6,23,22,3,5,24,21,7,26,27,8,14,12,4,25,13,20,18,9,15,19,10,16,11,17/E:(2,3)(6,7)/rA:27nCCCCCCCCCOOCCCCOOCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;d13;s14;d15;s15;s17;s13s18;d19;s20;d21;s22;d23;s20s24;d25;d18s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H18O4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2824 |
Area: | 579.629 |
Solvation: | -3.2083 |
Coulombic: | -39.8958 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 358.387 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.58 |
LogP (Chemaxon): | 4.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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