Structure Info
- Chemspace ID
- CSMB00012002821 (Enamine MADE)
- CAS
- 116632-52-1
- MFCD
- MFCD11553498
- IUPAC Name
- 1-(2-methylquinolin-6-yl)ethan-1-one
- Mol formula
- C12H11NO
- Mol weight
- 185 Da
- Catalog Number(s)
- A189008902, A955280, AA0091CU, AE21562, AG100576, AR00924M, BB4LS-BD00746913, BBV-38331972, BD00746913, BS-14495, CS-0161964, CSC012002821, D80233, D80233-0.1G, D80233-0.25G, EN300-1866918, FCH895026, HY-W108375, IMED3227175283, JH75916, LN04598011, R559622, REA63252, Y1357947
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.82
- Heavy atoms count
- 14
- Rotatable bond count
- 1
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.166
- Polar surface area (Å)
- 30
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00012002821
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