Molecule

ID:29682

General Information
Structure
Molecular Formula
C₄H₁₅Cl₂N₃
Molecular Mass
176.088
Exact Mass
175.06430286
Charge
0
InChI
InChI=1S/C4H13N3.2ClH/c1-7(2)4-3-6-5;;/h6H,3-5H2,1-2H3;2*1H
InChIKey
UIEZCQFBCDAMSI-UHFFFAOYSA-N
Canonic Smiles
NNCCN(C)C.Cl.Cl
Isomeric Smiles
Cl.Cl.N(N)CCN(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.3903968
LogD (pH = 7.4)
-1.6153209
Log P
-0.79146975
Molar Refractivity
42.9148
Polarizability
12.481601
Polar Surface Area
41.29
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
References
Bioactivity
Navigation