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Chemical ID: 3994820
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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