Molecule
ID:121761
General Information
Molecular Formula
C₉H₁₃NO
Molecular Mass
151.20562
Exact Mass
151.09971404
Charge
0
InChI
InChI=1S/C9H13NO/c1-4-8-5-6(2)10-7(3)9(8)11/h5,11H,4H2,1-3H3
InChIKey
LWILVFCDCXDHGS-UHFFFAOYSA-N
Canonic Smiles
CCc1cc(C)nc(c1O)C
Isomeric Smiles
n1c(c(c(cc1C)CC)O)C
Calculated Properties
JChem
Acid pKa
10.430192
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.021040931
LogD (pH = 7.4)
1.333329
Log P
1.6727384
Molar Refractivity
44.7072
Polarizability
17.168201
Polar Surface Area
33.12
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
No Data Available
Click here to submit data
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...