Chemical ID: 7085845

Cc1cc(c2c(c1)c(c(c(n2)c3ccccc3)C)C(=O)O)C
Chemical ID:
7085845
Name [?]:
3,6,8-trimethyl-2-phenyl-quinoline-4-carboxylic acid
SMILES [?]:
Cc1cc(c2c(c1)c(c(c(n2)c3ccccc3)C)C(=O)O)C
InChi [?]:
InChI=1/C19H17NO2/c1-11-9-12(2)17-15(10-11)16(19(21)22)13(3)18(20-17)14-7-5-4-6-8-14/h4-10H,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,22,18,15,14,16,13,17,3,7,2,4,9,12,6,8,5,10,19,11,20,21/E:(5,6)(7,8)(21,22)/rA:22nCCCCCCCCCCNCCCCCCCCOOC/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;d9;d5s10;s10;s12;d13;s14;d15;d12s16;s9;s8;d19;s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17NO2
All Atoms:39
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.0106
Area:482.004
Solvation:-2.03953
Coulombic:-35.0802
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:291.344
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.66
LogP (Chemaxon):4.98

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Descriptor Annotations

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