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Chemical ID: 5231782
Chemical ID:
5231782
Name [?]:
None
SMILES [?]:
COc1cc-2c(cc1OC)C(=O)OCc3c2cccc3
InChi [?]:
InChI=1/C16H14O4/c1-18-14-7-12-11-6-4-3-5-10(11)9-20-16(17)13(12)8-15(14)19-2/h3-8H,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,19,18,20,17,4,7,14,15,16,5,6,3,8,11,12,2,9,13/rA:20nCOCCCCCCOCCOOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s11;s13;s14;s5s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14O4 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.25859 |
Area: | 437.86 |
Solvation: | -5.68792 |
Coulombic: | -33.6427 |
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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