Chemical ID: 7122548

Cc1c(c2ccccc2nc1c3ccc(cc3Cl)Cl)C(=O)[O-]
Chemical ID:
7122548
Name [?]:
2-(2,4-dichlorophenyl)-3-methyl-quinoline-4-carboxylate
SMILES [?]:
Cc1c(c2ccccc2nc1c3ccc(cc3Cl)Cl)C(=O)[O-]
InChi [?]:
InChI=1/C17H11Cl2NO2/c1-9-15(17(21)22)12-4-2-3-5-14(12)20-16(9)11-7-6-10(18)8-13(11)19/h2-8H,1H3,(H,21,22)/p-1
InChi Info:
AuxInfo=1/1/N:1,6,7,5,8,14,13,16,2,15,12,4,17,9,3,11,20,19,18,10,21,22/E:(21,22)/rA:22nCCCCCCCCCNCCCCCCCClClCOO-/rB:s1;s2;d3;s4;d5;s6;d7;s4s8;d9;d2s10;s11;s12;d13;s14;d15;d12s16;s17;s15;s3;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H10Cl2NO2-
All Atoms:32
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:-29.6964
Area:496.831
Solvation:-42.1171
Coulombic:-9.70625
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:331.172
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.76
LogP (Chemaxon):5.24

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Descriptor Annotations

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