Molecule

ID:55156

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈Cl₂N₂O₂
Molecular Mass
245.14672
Exact Mass
244.07453319
Charge
0
InChI
InChI=1S/C8H16N2O2.2ClH/c1-12-8(11)2-5-10-6-3-9-4-7-10;;/h9H,2-7H2,1H3;2*1H
InChIKey
DXHPUWREJXMEDA-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCN1CCNCC1.Cl.Cl
Isomeric Smiles
C1NCCN(C1)CCC(=O)OC.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.6862476
LogD (pH = 7.4)
-2.3477569
Log P
-0.4848688
Molar Refractivity
46.2966
Polarizability
18.562765
Polar Surface Area
41.57
Rotatable Bonds
4
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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