Molecule

ID:45775

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀ClNO₂
Molecular Mass
221.7243
Exact Mass
221.11825657
Charge
0
InChI
InChI=1S/C10H19NO2.ClH/c1-8(2)10(12)13-7-9-4-3-5-11-6-9;/h8-9,11H,3-7H2,1-2H3;1H
InChIKey
NBLFTMKRWXXDNQ-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C)C)OCC1CCCNC1.Cl
Isomeric Smiles
C(=O)(OCC1CNCCC1)C(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.917221
LogD (pH = 7.4)
-1.4016976
Log P
1.3119861
Molar Refractivity
51.4898
Polarizability
20.710838
Polar Surface Area
38.33
Rotatable Bonds
4
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