Molecule

ID:65090

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀N₂O₂
Molecular Mass
200.278
Exact Mass
200.15247789
Charge
0
InChI
InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-7-8-4-5-11-6-8/h8,11H,4-7H2,1-3H3,(H,12,13)/t8-/m0/s1
InChIKey
WIEJVMZWPIUWHO-QMMMGPOBSA-N
Canonic Smiles
O=C(OC(C)(C)C)NC[C@@H]1CNCC1
Isomeric Smiles
[C@@H]1(CCNC1)CNC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
15.793067
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.6723623
LogD (pH = 7.4)
-2.5578773
Log P
0.56798553
Molar Refractivity
55.0664
Polarizability
21.854008
Polar Surface Area
50.36
Rotatable Bonds
4
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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