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Chemical ID: 6328055
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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