Chemical ID: 5580921

Cc1c2c(c(c(c1Cl)OC)Cl)Oc3c(c(c(c(c3OC2=O)C)OC)C(=O)OC)C
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

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Descriptor Annotations

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