Molecule

ID:59201

General Information
Structure
Molecular Formula
C₆H₁₁NO₃
Molecular Mass
145.15644
Exact Mass
145.07389322
Charge
0
InChI
InChI=1S/C6H11NO3/c7-6(5(8)9)1-3-10-4-2-6/h1-4,7H2,(H,8,9)
InChIKey
DPDPQQHHTHKSRN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1(N)CCOCC1
Isomeric Smiles
C1COCCC1(N)C(=O)O
Calculated Properties
JChem
Acid pKa
2.1793737
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.2207062
LogD (pH = 7.4)
-3.2226105
Log P
-3.2206457
Molar Refractivity
34.5187
Polarizability
13.865244
Polar Surface Area
72.55
Rotatable Bonds
1
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