Chemical ID: 6329866

Cc1ccc2c(c1)c(c(c(n2)c3cccc(c3)Cl)C)C(=O)O
Chemical ID:
6329866
Name [?]:
2-(3-chlorophenyl)-3,6-dimethyl-quinoline-4-carboxylic acid
SMILES [?]:
Cc1ccc2c(c1)c(c(c(n2)c3cccc(c3)Cl)C)C(=O)O
InChi [?]:
InChI=1/C18H14ClNO2/c1-10-6-7-15-14(8-10)16(18(21)22)11(2)17(20-15)12-4-3-5-13(19)9-12/h3-9H,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,19,14,13,15,3,4,7,17,2,9,12,16,6,5,8,10,20,18,11,21,22/E:(21,22)/rA:22nCCCCCCCCCCNCCCCCCClCCOO/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;d9;d5s10;s10;s12;d13;s14;d15;d12s16;s16;s9;s8;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14ClNO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.4045
Area:497.719
Solvation:-2.03846
Coulombic:-35.209
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:311.762
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.05
LogP (Chemaxon):5.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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