Molecule

ID:61788

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈N₂O₂
Molecular Mass
198.26212
Exact Mass
198.13682783
Charge
0
InChI
InChI=1S/C10H18N2O2/c1-9(2,3)14-8(13)12-6-10(7-12)4-11-5-10/h11H,4-7H2,1-3H3
InChIKey
KVOUHLVOTMOJBS-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CC2(C1)CNC2)OC(C)(C)C
Isomeric Smiles
C1N(CC21CNC2)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.9816897
LogD (pH = 7.4)
-2.2225325
Log P
0.23315787
Molar Refractivity
53.0644
Polarizability
21.132917
Polar Surface Area
41.57
Rotatable Bonds
2
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
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References
Bioactivity
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