Molecule

ID:32210

General Information
Structure
MolImage
Molecular Formula
C₅H₁₃ClN₂O
Molecular Mass
152.62252
Exact Mass
152.07164073
Charge
0
InChI
InChI=1S/C5H12N2O.ClH/c1-6-4-3-5(8)7-2;/h6H,3-4H2,1-2H3,(H,7,8);1H
InChIKey
RTAJXPNNTGBHNO-UHFFFAOYSA-N
Canonic Smiles
CNCCC(=O)NC.Cl
Isomeric Smiles
C(=O)(CCNC)NC.Cl
Calculated Properties
JChem
Acid pKa
16.474138
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-4.2503304
LogD (pH = 7.4)
-3.2532704
Log P
-1.061149
Molar Refractivity
32.1963
Polarizability
12.678941
Polar Surface Area
41.13
Rotatable Bonds
3
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