Molecule

ID:24647

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁NO₂
Molecular Mass
129.15704
Exact Mass
129.0789786
Charge
0
InChI
InChI=1S/C6H11NO2/c8-6(9)5-7-3-1-2-4-7/h1-5H2,(H,8,9)
InChIKey
IPXNXMNCBXHYLQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN1CCCC1
Isomeric Smiles
N1(CC(=O)O)CCCC1
Calculated Properties
JChem
Acid pKa
1.7844414
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.6566224
LogD (pH = 7.4)
-2.6569748
Log P
-2.6565864
Molar Refractivity
33.6137
Polarizability
13.120767
Polar Surface Area
40.54
Rotatable Bonds
2
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