Molecule

ID:48233

General Information
Structure
Molecular Formula
C₁₂H₂₆Cl₂N₂O
Molecular Mass
285.25364
Exact Mass
284.14221882
Charge
0
InChI
InChI=1S/C12H24N2O.2ClH/c1-14(10-12-3-2-6-13-12)9-11-4-7-15-8-5-11;;/h11-13H,2-10H2,1H3;2*1H
InChIKey
ZPJWDMDAOHLCKP-UHFFFAOYSA-N
Canonic Smiles
CN(CC1CCCN1)CC1CCOCC1.Cl.Cl
Isomeric Smiles
N1C(CN(CC2CCOCC2)C)CCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.422488
LogD (pH = 7.4)
-2.3993583
Log P
0.7131174
Molar Refractivity
63.2172
Polarizability
25.1236
Polar Surface Area
24.5
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