Chemical ID: 6831926

c1cc(c(c2c1c(c(cn2)C(=O)[O-])O)Cl)Cl
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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