Molecule
ID:57221
General Information
Molecular Formula
C₉H₁₁NO
Molecular Mass
149.18974
Exact Mass
149.08406398
Charge
0
InChI
InChI=1S/C9H11NO/c1-7-3-4-10-9(5-7)6-8(2)11/h3-5H,6H2,1-2H3
InChIKey
NISIAOZUKDDYST-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Cc1nccc(c1)C
Isomeric Smiles
c1cnc(cc1C)CC(=O)C
Calculated Properties
JChem
Acid pKa
13.960263
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4770544
LogD (pH = 7.4)
1.6200223
Log P
1.622219
Molar Refractivity
43.429
Polarizability
16.785675
Polar Surface Area
29.96
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Loading...
Bioactivity
Loading...