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Chemical ID: 6702599
Chemical ID:
6702599
Name [?]:
6-methyl-2-phenyl-quinoline-4-carboxylate
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)/p-1
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: | C17H12NO2- |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -30.0496 |
Area: | 444.754 |
Solvation: | -41.1685 |
Coulombic: | -10.0729 |
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: | 3.72 |
LogP (Chemaxon): | 4.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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