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Chemical ID: 4567177
Chemical ID:
4567177
Name [?]:
None
SMILES [?]:
Cc1c2cc3c(cc2oc(=O)c1CC(=O)O)occ3c4ccccc4
InChi [?]:
InChI=1/C20H14O5/c1-11-13-7-15-16(12-5-3-2-4-6-12)10-24-17(15)9-18(13)25-20(23)14(11)8-19(21)22/h2-7,9-10H,8H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,23,22,24,21,25,4,13,7,18,2,20,3,12,5,19,6,8,14,10,15,16,11,17,9/E:(3,4)(5,6)(21,22)/rA:25nCCCCCCCCOCOCCCOOOCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;d2s10;s12;s13;d14;s14;s6;s17;s5d18;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H14O5 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.67495 |
Area: | 518.288 |
Solvation: | -4.28224 |
Coulombic: | -51.8877 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 334.322 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.38 |
LogP (Chemaxon): | 4.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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