Molecule

ID:50058

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇ClN₂O₂
Molecular Mass
208.68578
Exact Mass
208.09785547
Charge
0
InChI
InChI=1S/C8H16N2O2.ClH/c9-5-8(11)10-6-7-1-3-12-4-2-7;/h7H,1-6,9H2,(H,10,11);1H
InChIKey
ODHVKFFSBQHFNR-UHFFFAOYSA-N
Canonic Smiles
NCC(=O)NCC1CCOCC1.Cl
Isomeric Smiles
C(=O)(NCC1CCOCC1)CN.Cl
Calculated Properties
JChem
Acid pKa
15.751939
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.8020017
LogD (pH = 7.4)
-2.1188397
Log P
-1.3089553
Molar Refractivity
46.0158
Polarizability
18.182564
Polar Surface Area
64.35
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