Molecule

ID:50466

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉NO₃
Molecular Mass
213.27346
Exact Mass
213.13649347
Charge
0
InChI
InChI=1S/C11H19NO3/c13-11(14)6-9-3-4-12(7-9)8-10-2-1-5-15-10/h9-10H,1-8H2,(H,13,14)
InChIKey
MRCMOXJUFPTLTC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC1CCN(C1)CC1CCCO1
Isomeric Smiles
N1(CC(CC(=O)O)CC1)CC1OCCC1
Calculated Properties
JChem
Acid pKa
4.178853
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.2427733
LogD (pH = 7.4)
-2.2278864
Log P
-2.2272065
Molar Refractivity
56.5218
Polarizability
22.29071
Polar Surface Area
49.77
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