Molecule

ID:48055

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₆Cl₂N₂
Molecular Mass
269.25424
Exact Mass
268.1473042
Charge
0
InChI
InChI=1S/C12H24N2.2ClH/c1-2-14(12-8-9-13-10-12)11-6-4-3-5-7-11;;/h11-13H,2-10H2,1H3;2*1H
InChIKey
UTXGXXLBYGJPPA-UHFFFAOYSA-N
Canonic Smiles
CCN(C1CNCC1)C1CCCCC1.Cl.Cl
Isomeric Smiles
N(C1CCNC1)(C1CCCCC1)CC.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.3784325
LogD (pH = 7.4)
-1.1933353
Log P
1.9300464
Molar Refractivity
61.0419
Polarizability
24.457176
Polar Surface Area
15.27
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