Molecule

ID:48799

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉ClN₂O
Molecular Mass
206.71296
Exact Mass
206.11859092
Charge
0
InChI
InChI=1S/C9H18N2O.ClH/c10-6-5-9(12)11-7-3-1-2-4-8-11;/h1-8,10H2;1H
InChIKey
BMLJSIBXNSJVCT-UHFFFAOYSA-N
Canonic Smiles
NCCC(=O)N1CCCCCC1.Cl
Isomeric Smiles
C(=O)(N1CCCCCC1)CCN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.9091704
LogD (pH = 7.4)
-1.6864327
Log P
0.024881493
Molar Refractivity
49.0614
Polarizability
19.311396
Polar Surface Area
46.33
Rotatable Bonds
2
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