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Chemical ID: 6142348
Chemical ID:
6142348
Name [?]:
1,2,4-trimethylquinolin-7-one
SMILES [?]:
Cc1cc(n(c-2cc(=O)ccc12)C)C
InChi [?]:
InChI=1/C12H13NO/c1-8-6-9(2)13(3)12-7-10(14)4-5-11(8)12/h4-7H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,14,13,10,11,3,7,2,4,8,12,6,5,9/rA:14nCCCCNCCCOCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;s8;d10;d2s6s11;s5;s4;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H13NO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.6305 |
Area: | 349.02 |
Solvation: | -2.09502 |
Coulombic: | -13.0187 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 187.238 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 1.72 |
LogP (Chemaxon): | 2.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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