Chemical ID: 6328055

Cc1cccc2c1nc(cc2C(=O)O)c3ccc(s3)Cl
Chemical ID:
6328055
Name [?]:
2-(5-chloro-2-thienyl)-8-methyl-quinoline-4-carboxylic acid
SMILES [?]:
Cc1cccc2c1nc(cc2C(=O)O)c3ccc(s3)Cl
InChi [?]:
InChI=1/C15H10ClNO2S/c1-8-3-2-4-9-10(15(18)19)7-11(17-14(8)9)12-5-6-13(16)20-12/h2-7H,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,16,17,10,2,6,11,9,15,18,7,12,20,8,13,14,19/E:(18,19)/rA:20nCCCCCCCNCCCCOOCCCCSCl/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;s6d10;s11;d12;s12;s9;d15;s16;d17;s15s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10ClNO2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.2145
Area:477.016
Solvation:-1.71094
Coulombic:-35.4594
Bond Count [?]
All:22
Single:14
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:303.764
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.27
LogP (Chemaxon):4.06

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Descriptor Annotations

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