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Chemical ID: 6831926
Chemical ID:
6831926
Name [?]:
7,8-dichloro-4-hydroxy-quinoline-3-carboxylate
SMILES [?]:
c1cc(c(c2c1c(c(cn2)C(=O)[O-])O)Cl)Cl
InChi [?]:
InChI=1/C10H5Cl2NO3/c11-6-2-1-4-8(7(6)12)13-3-5(9(4)14)10(15)16/h1-3H,(H,13,14)(H,15,16)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,9,6,8,3,4,5,7,11,16,15,10,14,12,13/E:(15,16)/rA:16nCCCCCCCCCNCOO-OClCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s5d9;s8;d11;s11;s7;s4;s3;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H4Cl2NO3- |
All Atoms: | 20 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -32.3902 |
Area: | 394.92 |
Solvation: | -42.2632 |
Coulombic: | -22.9055 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 257.049 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.74 |
LogP (Chemaxon): | 2.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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