Molecule

ID:69344

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅NO₂
Molecular Mass
145.1995
Exact Mass
145.11027873
Charge
0
InChI
InChI=1S/C5H11N.C2H4O2/c1-2-4-6-5-3-1;1-2(3)4/h6H,1-5H2;1H3,(H,3,4)
InChIKey
RAIYODFGMLZUDF-UHFFFAOYSA-N
Canonic Smiles
C1CCC[NH2+]C1.[O-]C(=O)C
Isomeric Smiles
[NH2+]1CCCCC1.C(=O)(C)[O-]
Calculated Properties
JChem
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
-2.5751903
LogD (pH = 7.4)
-2.1490471
Log P
0.65748763
Molar Refractivity
38.2503
Polarizability
10.679824
Polar Surface Area
16.61
Rotatable Bonds
0
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