Chemical ID: 6142348

Cc1cc(n(c-2cc(=O)ccc12)C)C
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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