Molecule

ID:30497

General Information
Structure
MolImage
Molecular Formula
C₇H₁₈N₂O
Molecular Mass
146.23062
Exact Mass
146.14191321
Charge
0
InChI
InChI=1S/C7H18N2O/c1-3-9(4-2)6-7(10)5-8/h7,10H,3-6,8H2,1-2H3
InChIKey
LEJMOTVCCRDZNE-UHFFFAOYSA-N
Canonic Smiles
NCC(CN(CC)CC)O
Isomeric Smiles
N(CC(O)CN)(CC)CC
Calculated Properties
JChem
Acid pKa
14.533431
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-6.302035
LogD (pH = 7.4)
-3.788566
Log P
-0.5235334
Molar Refractivity
43.3976
Polarizability
17.296043
Polar Surface Area
49.49
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
Molecule Details
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References
Bioactivity
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