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Chemical ID: 7668096
Chemical ID:
7668096
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)OCc2cccc(c2)C(=O)O
InChi [?]:
InChI=1/C15H14O4/c1-18-13-5-7-14(8-6-13)19-10-11-3-2-4-12(9-11)15(16)17/h2-9H,10H2,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,13,12,14,4,8,5,7,16,10,11,15,3,6,17,18,19,2,9/E:(5,6)(7,8)(16,17)/rA:19nCOCCCCCCOCCCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;d12;s13;d14;d11s15;s15;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14O4 |
All Atoms: | 33 |
Heavy Atoms: | 19 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.23561 |
Area: | 460.641 |
Solvation: | -4.28042 |
Coulombic: | -43.5082 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.18 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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