Chemical ID: 5145653

Cc1ccc2c(cc(nc2c1C)c3ccccc3)C(=O)O
Chemical ID:
5145653
Name [?]:
7,8-dimethyl-2-phenyl-quinoline-4-carboxylic acid
SMILES [?]:
Cc1ccc2c(cc(nc2c1C)c3ccccc3)C(=O)O
InChi [?]:
InChI=1/C18H15NO2/c1-11-8-9-14-15(18(20)21)10-16(19-17(14)12(11)2)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,12,16,15,17,14,18,3,4,7,2,11,13,5,6,8,10,19,9,20,21/E:(4,5)(6,7)(20,21)/rA:21nCCCCCCCCNCCCCCCCCCCOO/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;d2s10;s11;s8;s13;d14;s15;d16;d13s17;s6;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15NO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.67105
Area:462.196
Solvation:-1.88385
Coulombic:-35.2432
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):4.54

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Descriptor Annotations

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