Chemical ID: 7117042

Cc1c(c2ccccc2nc1c3ccccc3)C(=O)[O-]
Chemical ID:
7117042
Name [?]:
3-methyl-2-phenyl-quinoline-4-carboxylate
SMILES [?]:
Cc1c(c2ccccc2nc1c3ccccc3)C(=O)[O-]
InChi [?]:
InChI=1/C17H13NO2/c1-11-15(17(19)20)13-9-5-6-10-14(13)18-16(11)12-7-3-2-4-8-12/h2-10H,1H3,(H,19,20)/p-1
InChi Info:
AuxInfo=1/1/N:1,15,14,16,6,7,13,17,5,8,2,12,4,9,3,11,18,10,19,20/E:(3,4)(7,8)(19,20)/rA:20nCCCCCCCCCNCCCCCCCCOO-/rB:s1;s2;d3;s4;d5;s6;d7;s4s8;d9;d2s10;s11;s12;d13;s14;d15;d12s16;s3;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12NO2-
All Atoms:32
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-31.4539
Area:437.542
Solvation:-42.3924
Coulombic:-9.41933
Bond Count [?]
All:22
Single:13
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:262.283
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.51
LogP (Chemaxon):4.08

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Descriptor Annotations

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