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Chemical ID: 6734981
Chemical ID:
6734981
Name [?]:
None
SMILES [?]:
Cc1c(ccc2c1oc(=O)c3c2CCC3)OCc4ccc(o4)C(=O)[O-]
InChi [?]:
InChI=1/C19H16O6/c1-10-15(23-9-11-5-7-16(24-11)18(20)21)8-6-13-12-3-2-4-14(12)19(22)25-17(10)13/h5-8H,2-4,9H2,1H3,(H,20,21)/p-1
InChi Info:
AuxInfo=1/1/N:1,14,13,15,19,5,20,4,17,2,18,12,6,11,3,21,7,23,9,24,25,10,16,22,8/E:(20,21)/rA:25nCCCCCCCOCOCCCCCOCCCCCOCOO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s6d11;s12;s13;s11s14;s3;s16;s17;d18;s19;d20;s18s21;s21;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15O6- |
All Atoms: | 40 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -34.7547 |
Area: | 537.475 |
Solvation: | -48.1916 |
Coulombic: | -33.8351 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 339.319 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.99 |
LogP (Chemaxon): | 3.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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