Molecule

ID:43189

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃NO
Molecular Mass
221.33852
Exact Mass
221.17796436
Charge
0
InChI
InChI=1S/C14H23NO/c1-10-7-11(9-15(5)6)13(16)12(8-10)14(2,3)4/h7-8,16H,9H2,1-6H3
InChIKey
GNZOGLOOGZLFHM-UHFFFAOYSA-N
Canonic Smiles
CN(Cc1cc(C)cc(c1O)C(C)(C)C)C
Isomeric Smiles
c1(c(c(C(C)(C)C)cc(c1)C)O)CN(C)C
Calculated Properties
JChem
Acid pKa
9.953119
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.38384464
LogD (pH = 7.4)
1.8733443
Log P
3.1289563
Molar Refractivity
70.2887
Polarizability
27.061626
Polar Surface Area
23.47
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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
Bioactivity
Navigation