Molecule

ID:107828

General Information
Structure
MolImage
Molecular Formula
C₅H₁₄Cl₂N₂O₂
Molecular Mass
205.08286
Exact Mass
204.04323306
Charge
0
InChI
InChI=1S/C5H12N2O2.2ClH/c6-3-1-2-4(7)5(8)9;;/h4H,1-3,6-7H2,(H,8,9);2*1H
InChIKey
HGBAVEGDXFHRQP-UHFFFAOYSA-N
Canonic Smiles
NCCCC(C(=O)O)N.Cl.Cl
Isomeric Smiles
Cl.Cl.NCCCC(N)C(=O)O
Calculated Properties
JChem
Acid pKa
2.6664226
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-6.399376
LogD (pH = 7.4)
-5.4160175
Log P
-3.6582875
Molar Refractivity
33.2085
Polarizability
13.533871
Polar Surface Area
89.34
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
References
Bioactivity
Navigation