Molecule

ID:48990

General Information
Structure
Molecular Formula
C₉H₁₉ClN₂O₂
Molecular Mass
222.71236
Exact Mass
222.11350554
Charge
0
InChI
InChI=1S/C9H18N2O2.ClH/c1-11(6-7-12)9(13)8-2-4-10-5-3-8;/h8,10,12H,2-7H2,1H3;1H
InChIKey
RHMJQWGDEIACCL-UHFFFAOYSA-N
Canonic Smiles
OCCN(C(=O)C1CCNCC1)C.Cl
Isomeric Smiles
C(=O)(N(CCO)C)C1CCNCC1.Cl
Calculated Properties
JChem
Acid pKa
15.574838
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.395432
LogD (pH = 7.4)
-3.8109958
Log P
-1.1694603
Molar Refractivity
50.9832
Polarizability
19.94658
Polar Surface Area
52.57
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