Molecule

ID:50238

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆N₂O₂
Molecular Mass
160.21414
Exact Mass
160.12117776
Charge
0
InChI
InChI=1S/C7H16N2O2/c1-7(2,3)11-6(10)9-5-4-8/h4-5,8H2,1-3H3,(H,9,10)
InChIKey
AOCSUUGBCMTKJH-UHFFFAOYSA-N
Canonic Smiles
NCCNC(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(OC(C)(C)C)NCCN
Calculated Properties
JChem
Acid pKa
15.430774
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.871655
LogD (pH = 7.4)
-1.6760266
Log P
0.06965471
Molar Refractivity
42.7416
Polarizability
17.066732
Polar Surface Area
64.35
Rotatable Bonds
4
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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