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Chemical ID: 6636134
Chemical ID:
6636134
Name [?]:
2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one
SMILES [?]:
Cc1cc(=O)c2ccc(cc2[nH]1)C(F)(F)F
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:1,8,7,3,10,2,9,6,11,4,13,14,15,16,12,5/E:(12,13,14)/rA:16nCCCCOCCCCCCNCFFF/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;d6s10;s2s11;s9;s13;s13;s13;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H8F3NO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.49899 |
Area: | 356.03 |
Solvation: | -2.40175 |
Coulombic: | -37.7898 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 227.183 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.95 |
LogP (Chemaxon): | 2.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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