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Chemical ID: 7432566
Chemical ID:
7432566
Name [?]:
5,7-dichloro-2-methyl-quinoline-4-carboxylic acid
SMILES [?]:
Cc1cc(c2c(n1)cc(cc2Cl)Cl)C(=O)O
InChi [?]:
InChI=1/C11H7Cl2NO2/c1-5-2-7(11(15)16)10-8(13)3-6(12)4-9(10)14-5/h2-4H,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,3,10,8,2,9,4,11,6,5,14,13,12,7,15,16/E:(15,16)/rA:16nCCCCCCNCCCCClClCOO/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;d9;d5s10;s11;s9;s4;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H7Cl2NO2 |
All Atoms: | 23 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.93667 |
Area: | 397.262 |
Solvation: | -1.99488 |
Coulombic: | -32.2049 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 256.084 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.3 |
LogP (Chemaxon): | 2.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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