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Chemical ID: 5231779
Chemical ID:
5231779
Name [?]:
None
SMILES [?]:
COc1cc2c(cc1OC)-c3ccccc3C(=O)OC2
InChi [?]:
InChI=1/C16H14O4/c1-18-14-7-10-9-20-16(17)12-6-4-3-5-11(12)13(10)8-15(14)19-2/h3-8H,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,13,14,12,15,4,7,20,5,11,16,6,3,8,17,18,2,9,19/rA:20nCOCCCCCCOCCCCCCCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s13;d14;d11s15;s16;d17;s17;s5s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14O4 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.1379 |
Area: | 438.594 |
Solvation: | -5.82695 |
Coulombic: | -33.9256 |
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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