Molecule

ID:75189

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆Cl₂N₂O₂
Molecular Mass
231.12014
Exact Mass
230.05888312
Charge
0
InChI
InChI=1S/C7H14N2O2.2ClH/c1-11-7(10)4-6-5-8-2-3-9-6;;/h6,8-9H,2-5H2,1H3;2*1H
InChIKey
BAKVEPAYECKEHR-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC1NCCNC1.Cl.Cl
Isomeric Smiles
N1CC(NCC1)CC(=O)OC.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.8084297
LogD (pH = 7.4)
-2.2214768
Log P
-0.80814964
Molar Refractivity
40.6721
Polarizability
16.72713
Polar Surface Area
50.36
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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