Chemical ID: 4570237

COc1ccc(cc1)c2coc3c2cc4c(c3)oc(=O)c5c4CCCCC5
Chemical ID:
4570237
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)c2coc3c2cc4c(c3)oc(=O)c5c4CCCCC5
InChi [?]:
InChI=1/C23H20O4/c1-25-15-9-7-14(8-10-15)20-13-26-21-12-22-18(11-19(20)21)16-5-3-2-4-6-17(16)23(24)27-22/h7-13H,2-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,25,24,26,23,27,5,7,4,8,14,17,10,6,3,22,21,15,13,9,12,16,19,20,2,11,18/E:(7,8)(9,10)/rA:27nCOCCCCCCCCOCCCCCCOCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9s12;d13;s14;d15;d12s16;s16;s18;d19;s19;s15d21;s22;s23;s24;s25;s21s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H20O4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.51214
Area:548.898
Solvation:-4.21031
Coulombic:-34.423
Bond Count [?]
All:31
Single:22
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:360.402
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.25
LogP (Chemaxon):5.74

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Descriptor Annotations

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