Chemical ID: 6919270

Cc1cc2c(c(c1)O)C(=O)c3c(cc(c(c3O)Cl)O)C2=O
Chemical ID:
6919270
Name [?]:
2-chloro-1,3,8-trihydroxy-6-methyl-anthracene-9,10-dione
SMILES [?]:
Cc1cc2c(c(c1)O)C(=O)c3c(cc(c(c3O)Cl)O)C2=O
InChi [?]:
InChI=1/C15H9ClO5/c1-5-2-6-10(8(17)3-5)14(20)11-7(13(6)19)4-9(18)12(16)15(11)21/h2-4,17-18,21H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,13,2,4,12,6,14,5,11,15,20,9,16,18,8,19,21,10,17/rA:21nCCCCCCCOCOCCCCCCOClOCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;s9;s11;d12;s13;d14;d11s15;s16;s15;s14;s4s12;d20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H9ClO5
All Atoms:30
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:4.96247
Area:445.013
Solvation:-6.16287
Coulombic:-60.9283
Bond Count [?]
All:23
Single:15
Double:8
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:304.682
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:2.1
LogP (Chemaxon):3.87

Name Annotations

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Descriptor Annotations

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