Chemical ID: 5694459

COc1ccc(cc1)CCC(=O)OCc2cc(=O)oc3c2c4ccccc4cc3
Chemical ID:
5694459
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)CCC(=O)OCc2cc(=O)oc3c2c4ccccc4cc3
InChi [?]:
InChI=1/C24H20O5/c1-27-19-10-6-16(7-11-19)8-13-22(25)28-15-18-14-23(26)29-21-12-9-17-4-2-3-5-20(17)24(18)21/h2-7,9-12,14H,8,13,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,25,24,26,23,5,7,9,28,4,8,29,10,16,14,6,27,15,3,22,20,11,17,21,12,18,2,13,19/E:(6,7)(10,11)/rA:29nCOCCCCCCCCCOOCCCCOOCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;s17;s19;s15s20;d21;s22;d23;s24;d25;s22s26;d27;d20s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H20O5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.8869
Area:621.078
Solvation:-4.64007
Coulombic:-46.0678
Bond Count [?]
All:32
Single:21
Double:11
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:388.413
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.5
LogP (Chemaxon):4.7

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Descriptor Annotations

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