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Chemical ID: 6426509
Chemical ID:
6426509
Name [?]:
None
SMILES [?]:
c1ccc(cc1)c2c(c-3c(oc2=O)CCc4c3cccc4)O
InChi [?]:
InChI=1/C19H14O3/c20-18-16(13-7-2-1-3-8-13)19(21)22-15-11-10-12-6-4-5-9-14(12)17(15)18/h1-9,20H,10-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,20,19,21,3,5,18,15,14,16,4,17,10,7,9,8,12,22,13,11/E:(2,3)(7,8)/rA:22nCCCCCCCCCCOCOCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s10;s7s11;d12;s10;s14;s15;s9s16;d17;s18;d19;d16s20;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H14O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.5919 |
Area: | 454.787 |
Solvation: | -2.77776 |
Coulombic: | -37.1507 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 290.313 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.96 |
LogP (Chemaxon): | 4.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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