Chemical ID: 6329899

Cc1ccc2c(c1)c(cc(n2)c3ccc(s3)Cl)C(=O)[O-]
Chemical ID:
6329899
Name [?]:
2-(5-chloro-2-thienyl)-6-methyl-quinoline-4-carboxylate
SMILES [?]:
Cc1ccc2c(c1)c(cc(n2)c3ccc(s3)Cl)C(=O)[O-]
InChi [?]:
InChI=1/C15H10ClNO2S/c1-8-2-3-11-9(6-8)10(15(18)19)7-12(17-11)13-4-5-14(16)20-13/h2-7H,1H3,(H,18,19)/p-1
InChi Info:
AuxInfo=1/1/N:1,3,4,13,14,7,9,2,6,8,5,10,12,15,18,17,11,19,20,16/E:(18,19)/rA:20nCCCCCCCCCCNCCCCSClCOO-/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;d9;d5s10;s10;d12;s13;d14;s12s15;s15;s8;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H9ClNO2S-
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-28.9132
Area:477.941
Solvation:-40.8617
Coulombic:-10.2388
Bond Count [?]
All:22
Single:14
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:302.756
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.0
LogP (Chemaxon):4.06

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