Molecule

ID:102577

General Information
Structure
MolImage
Molecular Formula
C₇H₁₈Cl₂N₂O₂
Molecular Mass
233.13602
Exact Mass
232.07453319
Charge
0
InChI
InChI=1S/C7H16N2O2.2ClH/c1-11-7(10)6(9)4-2-3-5-8;;/h6H,2-5,8-9H2,1H3;2*1H/t6-;;/m0../s1
InChIKey
SXZCBVCQHOJXDR-ILKKLZGPSA-N
Canonic Smiles
NCCCC[C@@H](C(=O)OC)N.Cl.Cl
Isomeric Smiles
Cl.Cl.COC(=O)[C@@H](N)CCCCN
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-5.4617057
LogD (pH = 7.4)
-3.468673
Log P
-0.56471795
Molar Refractivity
42.5786
Polarizability
17.447567
Polar Surface Area
78.34
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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