Molecule
ID:123260
General Information
Molecular Formula
C₁₁H₁₅NO₂
Molecular Mass
193.2423
Exact Mass
193.11027873
Charge
0
InChI
InChI=1S/C11H15NO2/c1-2-12(9-8-11(13)14)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,14)
InChIKey
JACCLQAUXMZURT-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccccc1)CCC(=O)O
Isomeric Smiles
C(C(=O)O)CN(c1ccccc1)CC
Calculated Properties
JChem
Acid pKa
3.8762062
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.0379142
LogD (pH = 7.4)
-0.2967871
Log P
1.1136439
Molar Refractivity
56.0192
Polarizability
21.185162
Polar Surface Area
40.54
Rotatable Bonds
5
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...