Molecule

ID:121364

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄N₂O₃
Molecular Mass
186.20836
Exact Mass
186.10044232
Charge
0
InChI
InChI=1S/C8H14N2O3/c1-13-7(11)6-9-8(12)10-4-2-3-5-10/h2-6H2,1H3,(H,9,12)
InChIKey
RYIPCQOSKZEBFC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CNC(=O)N1CCCC1
Isomeric Smiles
C(=O)(N1CCCC1)NCC(=O)OC
Calculated Properties
JChem
Acid pKa
14.783168
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.6631308
LogD (pH = 7.4)
-0.6631309
Log P
-0.6631308
Molar Refractivity
46.2274
Polarizability
17.940308
Polar Surface Area
58.64
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
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
Bioactivity
Navigation