Chemical ID: 4567910

CCc1cc(=O)oc2c1cc3c(c2)occ3c4cccc(c4)OC
Chemical ID:
4567910
Name [?]:
None
SMILES [?]:
CCc1cc(=O)oc2c1cc3c(c2)occ3c4cccc(c4)OC
InChi [?]:
InChI=1/C20H16O4/c1-3-12-8-20(21)24-19-10-18-16(9-15(12)19)17(11-23-18)13-5-4-6-14(7-13)22-2/h4-11H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,2,19,18,20,22,4,10,13,15,3,17,21,9,11,16,12,8,5,6,23,14,7/rA:24nCCCCCOOCCCCCCOCCCCCCCCOC/rB:s1;s2;d3;s4;d5;s5;s7;s3s8;d9;s10;d11;d8s12;s12;s14;s11d15;s16;s17;d18;s19;d20;d17s21;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H16O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.40993
Area:513.127
Solvation:-4.41824
Coulombic:-33.6664
Bond Count [?]
All:27
Single:18
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:320.339
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.41
LogP (Chemaxon):4.99

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Experimental Annotations

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Descriptor Annotations

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