Molecule

ID:50382

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆N₂O₃
Molecular Mass
200.23494
Exact Mass
200.11609238
Charge
0
InChI
InChI=1S/C9H16N2O3/c1-3-11-5-4-10-7(9(11)13)6-8(12)14-2/h7,10H,3-6H2,1-2H3
InChIKey
RZIYGZCMYSAVLN-UHFFFAOYSA-N
Canonic Smiles
CCN1CCNC(C1=O)CC(=O)OC
Isomeric Smiles
C1(=O)C(CC(=O)OC)NCCN1CC
Calculated Properties
JChem
Acid pKa
19.002048
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.5357585
LogD (pH = 7.4)
-0.8389981
Log P
-0.81635624
Molar Refractivity
50.4716
Polarizability
20.132935
Polar Surface Area
58.64
Rotatable Bonds
4
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