Molecule

ID:37067

General Information
Structure
MolImage
Molecular Formula
C₅H₁₆Cl₂N₂
Molecular Mass
175.09994
Exact Mass
174.06905388
Charge
0
InChI
InChI=1S/C5H14N2.2ClH/c1-5(4-7)2-3-6;;/h5H,2-4,6-7H2,1H3;2*1H
InChIKey
LQQCJXUDQPHZBY-UHFFFAOYSA-N
Canonic Smiles
NCCC(CN)C.Cl.Cl
Isomeric Smiles
NCC(CCN)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-6.528101
LogD (pH = 7.4)
-5.6905375
Log P
-0.48014745
Molar Refractivity
31.8502
Polarizability
13.012255
Polar Surface Area
52.04
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