Molecule

ID:59165

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈N₂O
Molecular Mass
158.24132
Exact Mass
158.14191321
Charge
0
InChI
InChI=1S/C8H18N2O/c9-3-6-10-4-1-8(7-11)2-5-10/h8,11H,1-7,9H2
InChIKey
GSPGIVPZQUNHRX-UHFFFAOYSA-N
Canonic Smiles
NCCN1CCC(CC1)CO
Isomeric Smiles
N1(CCC(CC1)CO)CCN
Calculated Properties
JChem
Acid pKa
15.46719
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-5.2135243
LogD (pH = 7.4)
-3.018513
Log P
-0.828154
Molar Refractivity
46.4802
Polarizability
18.407972
Polar Surface Area
49.49
Rotatable Bonds
3
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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