Molecule

ID:19209

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈N₂O
Molecular Mass
158.24132
Exact Mass
158.14191321
Charge
0
InChI
InChI=1S/C8H18N2O/c9-4-2-6-10-5-1-3-8(11)7-10/h8,11H,1-7,9H2
InChIKey
RLDCHEDVXUZUMM-UHFFFAOYSA-N
Canonic Smiles
NCCCN1CCCC(C1)O
Isomeric Smiles
N1(CC(O)CCC1)CCCN
Calculated Properties
JChem
Acid pKa
14.886569
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-6.6529984
LogD (pH = 7.4)
-4.4863443
Log P
-0.7713921
Molar Refractivity
46.3068
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
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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