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Chemical ID: 7668953
Chemical ID:
7668953
Name [?]:
None
SMILES [?]:
c1cc(c(c(c1)Cl)OCn2ccc(n2)C(=O)O)Cl
InChi [?]:
InChI=1/C11H8Cl2N2O3/c12-7-2-1-3-8(13)10(7)18-6-15-5-4-9(14-15)11(16)17/h1-5H,6H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,11,9,3,5,13,4,15,18,7,14,10,16,17,8/E:(2,3)(7,8)(12,13)(16,17)/rA:18nCCCCCCClOCNCCCNCOOCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;s9;s10;d11;s12;s10d13;s13;d15;s15;s3;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H8Cl2N2O3 |
All Atoms: | 26 |
Heavy Atoms: | 18 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.32046 |
Area: | 457.38 |
Solvation: | -3.11405 |
Coulombic: | -42.3875 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.24 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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