Molecule

ID:37136

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)6-10-4-2-7(9)3-5-10;;/h7H,2-6,9H2,1H3;2*1H
InChIKey
VUNXJJHQHZDCTA-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CN1CCC(CC1)N.Cl.Cl
Isomeric Smiles
N1(CC(=O)OC)CCC(CC1)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.4767137
LogD (pH = 7.4)
-3.6904962
Log P
-0.9747754
Molar Refractivity
46.2236
Polarizability
18.562765
Polar Surface Area
55.56
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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