Molecule

ID:43384

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈N₂O₂
Molecular Mass
174.24072
Exact Mass
174.13682783
Charge
0
InChI
InChI=1S/C8H18N2O2/c1-8(2,3)12-7(11)10-6-4-5-9/h4-6,9H2,1-3H3,(H,10,11)
InChIKey
POHWAQLZBIMPRN-UHFFFAOYSA-N
Canonic Smiles
NCCCNC(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(OC(C)(C)C)NCCCN
Calculated Properties
JChem
Acid pKa
16.032581
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.8789184
LogD (pH = 7.4)
-2.1547983
Log P
0.12961446
Molar Refractivity
47.607
Polarizability
18.901976
Polar Surface Area
64.35
Rotatable Bonds
5
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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