Chemical ID: 7086352

Cc1ccc2c(c1)c(c(c(n2)c3ccccc3)C)C(=O)O
Chemical ID:
7086352
Name [?]:
3,6-dimethyl-2-phenyl-quinoline-4-carboxylic acid
SMILES [?]:
Cc1ccc2c(c1)c(c(c(n2)c3ccccc3)C)C(=O)O
InChi [?]:
InChI=1/C18H15NO2/c1-11-8-9-15-14(10-11)16(18(20)21)12(2)17(19-15)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,18,15,14,16,13,17,3,4,7,2,9,12,6,5,8,10,19,11,20,21/E:(4,5)(6,7)(20,21)/rA:21nCCCCCCCCCCNCCCCCCCCOO/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;d9;d5s10;s10;s12;d13;s14;d15;d12s16;s9;s8;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15NO2
All Atoms:36
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.48916
Area:462.464
Solvation:-2.07244
Coulombic:-35.1512
Bond Count [?]
All:23
Single:14
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:277.317
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.43
LogP (Chemaxon):4.52

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