Molecule

ID:48210

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀Cl₂N₂O
Molecular Mass
243.1739
Exact Mass
242.09526863
Charge
0
InChI
InChI=1S/C9H18N2O.2ClH/c1-2-9(10-3-1)8-11-4-6-12-7-5-11;;/h9-10H,1-8H2;2*1H
InChIKey
JBPYQHONNDBVST-UHFFFAOYSA-N
Canonic Smiles
O1CCN(CC1)CC1CCCN1.Cl.Cl
Isomeric Smiles
N1(CC2NCCC2)CCOCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.3196814
LogD (pH = 7.4)
-2.9899983
Log P
0.07283013
Molar Refractivity
48.9982
Polarizability
19.593437
Polar Surface Area
24.5
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