Chemical ID: 3994820

Cc1ccc2c(c1)c(cc(n2)c3ccccc3)C(=O)O
Chemical ID:
3994820
Name [?]:
6-methyl-2-phenyl-quinoline-4-carboxylic acid
SMILES [?]:
Cc1ccc2c(c1)c(cc(n2)c3ccccc3)C(=O)O
InChi [?]:
InChI=1/C17H13NO2/c1-11-7-8-15-13(9-11)14(17(19)20)10-16(18-15)12-5-3-2-4-6-12/h2-10H,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,15,14,16,13,17,3,4,7,9,2,12,6,8,5,10,18,11,19,20/E:(3,4)(5,6)(19,20)/rA:20nCCCCCCCCCCNCCCCCCCOO/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;d9;d5s10;s10;s12;d13;s14;d15;d12s16;s8;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13NO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.22851
Area:446.775
Solvation:-1.94086
Coulombic:-35.2969
Bond Count [?]
All:22
Single:13
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:263.291
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.21
LogP (Chemaxon):4.2

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Descriptor Annotations

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