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Chemical ID: 5231778
Chemical ID:
5231778
Name [?]:
None
SMILES [?]:
COc1ccc2c(c1OC)-c3ccccc3C(=O)OC2
InChi [?]:
InChI=1/C16H14O4/c1-18-13-8-7-10-9-20-16(17)12-6-4-3-5-11(12)14(10)15(13)19-2/h3-8H,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,13,14,12,15,5,4,20,6,11,16,3,7,8,17,18,2,9,19/rA:20nCOCCCCCCOCCCCCCCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;d12;s13;d14;d11s15;s16;d17;s17;s6s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14O4 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.86835 |
Area: | 425.205 |
Solvation: | -4.76178 |
Coulombic: | -35.3757 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 270.28 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.15 |
LogP (Chemaxon): | 2.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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