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Chemical ID: 4567917
Chemical ID:
4567917
Name [?]:
None
SMILES [?]:
CCCc1cc(=O)oc2c1cc3c(coc3c2C)c4cccc(c4)OC
InChi [?]:
InChI=1/C22H20O4/c1-4-6-14-10-20(23)26-22-13(2)21-18(11-17(14)22)19(12-25-21)15-7-5-8-16(9-15)24-3/h5,7-12H,4,6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,18,26,2,21,3,20,22,24,5,11,14,17,4,19,23,10,12,13,6,16,9,7,25,15,8/rA:26nCCCCCCOOCCCCCCOCCCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;s6;s8;s4s9;d10;s11;s12;d13;s14;d12s15;d9s16;s17;s13;s19;d20;s21;d22;d19s23;s23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H20O4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.54079 |
Area: | 553.275 |
Solvation: | -4.29108 |
Coulombic: | -34.2156 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 348.392 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.2 |
LogP (Chemaxon): | 5.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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