Molecule

ID:85752

General Information
Structure
Molecular Formula
C₈H₂₀Cl₂N₂O₂
Molecular Mass
247.1626
Exact Mass
246.09018325
Charge
0
InChI
InChI=1S/C8H18N2O2.2ClH/c1-2-12-8(11)7(10)5-3-4-6-9;;/h7H,2-6,9-10H2,1H3;2*1H
InChIKey
DZIYAIZKJOHVQC-UHFFFAOYSA-N
Canonic Smiles
NCCCCC(C(=O)OCC)N.Cl.Cl
Isomeric Smiles
O=C(C(N)CCCCN)OCC.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-5.104594
LogD (pH = 7.4)
-3.1117005
Log P
-0.20790999
Molar Refractivity
47.3272
Polarizability
19.28551
Polar Surface Area
78.34
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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