Chemical ID: 6734981

Cc1c(ccc2c1oc(=O)c3c2CCC3)OCc4ccc(o4)C(=O)[O-]
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

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Descriptor Annotations

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