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Chemical ID: 4767328
Chemical ID:
4767328
Name [?]:
2-methyl-7-(trifluoromethyl)quinolin-4-ol
SMILES [?]:
Cc1cc(c2ccc(cc2n1)C(F)(F)F)O
InChi [?]:
InChI=1/C11H8F3NO/c1-6-4-10(16)8-3-2-7(11(12,13)14)5-9(8)15-6/h2-5H,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,7,6,3,9,2,8,5,10,4,12,13,14,15,11,16/E:(12,13,14)/rA:16nCCCCCCCCCCNCFFFO/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;d2s10;s8;s12;s12;s12;s4;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H8F3NO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.35475 |
Area: | 356.617 |
Solvation: | -2.56069 |
Coulombic: | -39.595 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 227.183 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.96 |
LogP (Chemaxon): | 2.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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