Molecule

ID:70635

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀ClNO₂
Molecular Mass
151.5914
Exact Mass
151.04000625
Charge
0
InChI
InChI=1S/C5H9NO2.ClH/c7-5(8)4-1-2-6-3-4;/h4,6H,1-3H2,(H,7,8);1H/t4-;/m0./s1
InChIKey
OYCLYMMIZJWYJG-WCCKRBBISA-N
Canonic Smiles
OC(=O)[C@@H]1CNCC1.Cl
Isomeric Smiles
N1C[C@H](CC1)C(=O)O.Cl
Calculated Properties
JChem
Acid pKa
3.6427896
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.884873
LogD (pH = 7.4)
-2.8800323
Log P
-2.8800871
Molar Refractivity
28.3203
Polarizability
11.294152
Polar Surface Area
49.33
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