Molecule

ID:64680

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀N₂O₂
Molecular Mass
200.278
Exact Mass
200.15247789
Charge
0
InChI
InChI=1S/C10H20N2O2/c1-8-7-11-5-6-12(8)9(13)14-10(2,3)4/h8,11H,5-7H2,1-4H3/t8-/m1/s1
InChIKey
DATRVIMZZZVHMP-MRVPVSSYSA-N
Canonic Smiles
C[C@@H]1CNCCN1C(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(N1[C@@H](CNCC1)C)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.407174
LogD (pH = 7.4)
0.32161155
Log P
0.9709613
Molar Refractivity
54.8627
Polarizability
21.854008
Polar Surface Area
41.57
Rotatable Bonds
2
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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