Chemical ID: 4747536

CCn1cc(c(=O)c2c1ccc(c2)Cl)C(=O)O
Chemical ID:
4747536
Name [?]:
6-chloro-1-ethyl-4-oxo-quinoline-3-carboxylic acid
SMILES [?]:
CCn1cc(c(=O)c2c1ccc(c2)Cl)C(=O)O
InChi [?]:
InChI=1/C12H10ClNO3/c1-2-14-6-9(12(16)17)11(15)8-5-7(13)3-4-10(8)14/h3-6H,2H2,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,11,10,13,4,12,8,5,9,6,15,14,3,7,16,17/E:(16,17)/rA:17nCCNCCCOCCCCCCClCOO/rB:s1;s2;s3;d4;s5;d6;s6;s3s8;d9;s10;d11;d8s12;s12;s5;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H10ClNO3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.49263
Area:415.271
Solvation:-2.88914
Coulombic:-41.3192
Bond Count [?]
All:18
Single:12
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:251.665
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.67
LogP (Chemaxon):2.62

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