Molecule

ID:33769

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂O₃
Molecular Mass
212.24564
Exact Mass
212.11609238
Charge
0
InChI
InChI=1S/C10H16N2O3/c1-4-12(5-2)6-8-7(3)15-11-9(8)10(13)14/h4-6H2,1-3H3,(H,13,14)
InChIKey
OBEDWEOLGXSVRT-UHFFFAOYSA-N
Canonic Smiles
CCN(Cc1c(C)onc1C(=O)O)CC
Isomeric Smiles
c1(c(c(on1)C)CN(CC)CC)C(=O)O
Calculated Properties
JChem
Acid pKa
3.625109
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.4920888
LogD (pH = 7.4)
-1.5275322
Log P
-1.4899998
Molar Refractivity
57.5738
Polarizability
21.203093
Polar Surface Area
66.57
Rotatable Bonds
5
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