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Chemical ID: 5580921
Chemical ID:
5580921
Name [?]:
None
SMILES [?]:
Cc1c2c(c(c(c1Cl)OC)Cl)Oc3c(c(c(c(c3OC2=O)C)OC)C(=O)OC)C
InChi [?]:
InChI=1/C20H18Cl2O7/c1-7-10-17(13(22)18(26-5)12(7)21)28-15-8(2)11(19(23)27-6)14(25-4)9(3)16(15)29-20(10)24/h1-6H3
InChi Info:
AuxInfo=1/0/N:1,29,22,24,10,28,2,14,17,3,15,7,5,16,13,18,4,6,25,20,8,11,26,21,23,9,27,12,19/rA:29nCCCCCCCClOCClOCCCCCCOCOCOCCOOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;s5;s4;s12;s13;d14;s15;d16;d13s17;s18;s3s19;d20;s17;s16;s23;s15;d25;s25;s27;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18Cl2O7 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.63857 |
Area: | 585.066 |
Solvation: | -4.98807 |
Coulombic: | -60.5556 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 441.258 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 4.67 |
LogP (Chemaxon): | 4.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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