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Chemical ID: 4567910
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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