Chemical ID: 7183233

Cc1ccc2c(c1)c(c(c(n2)c3cccc(c3)Cl)C)C(=O)[O-]
Chemical ID:
7183233
Name [?]:
2-(3-chlorophenyl)-3,6-dimethyl-quinoline-4-carboxylate
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)/p-1
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:C18H13ClNO2-
All Atoms:35
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:-29.6018
Area:495.383
Solvation:-41.9864
Coulombic:-9.63611
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:310.754
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.57
LogP (Chemaxon):5.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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