Molecule

ID:113346

General Information
Structure
MolImage
Molecular Formula
C₅H₈ClNO
Molecular Mass
133.57612
Exact Mass
133.02944156
Charge
0
InChI
InChI=1S/C5H8ClNO/c6-4-7-3-1-2-5(7)8/h1-4H2
InChIKey
KEBMRNXDMRFGNV-UHFFFAOYSA-N
Canonic Smiles
ClCN1CCCC1=O
Isomeric Smiles
N1(C(=O)CCC1)CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.2578237
LogD (pH = 7.4)
0.25782374
Log P
0.25782374
Molar Refractivity
31.794
Polarizability
12.32339
Polar Surface Area
20.31
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