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Chemical ID: 4579063
Chemical ID:
4579063
Name [?]:
None
SMILES [?]:
CCCCc1cc(=O)oc2c1cc3c(c2)occ3c4ccc(cc4)C
InChi [?]:
InChI=1/C22H20O3/c1-3-4-5-16-10-22(23)25-21-12-20-18(11-17(16)21)19(13-24-20)15-8-6-14(2)7-9-15/h6-13H,3-5H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,2,3,4,21,23,20,24,6,12,15,17,22,19,5,11,13,18,14,10,7,8,16,9/E:(6,7)(8,9)/rA:25nCCCCCCCOOCCCCCCOCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;s5s10;d11;s12;d13;d10s14;s14;s16;s13d17;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H20O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5616 |
Area: | 542.329 |
Solvation: | -2.99666 |
Coulombic: | -27.9524 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 332.392 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 6.07 |
LogP (Chemaxon): | 6.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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