Molecule

ID:64083

General Information
Structure
Molecular Formula
C₁₀H₁₈N₂O₂
Molecular Mass
198.26212
Exact Mass
198.13682783
Charge
0
InChI
InChI=1S/C10H18N2O2/c1-9(2,3)14-8(13)12-5-4-10(12)6-11-7-10/h11H,4-7H2,1-3H3
InChIKey
LKTBVNSJVPWOKC-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC21CNC2)OC(C)(C)C
Isomeric Smiles
C12(CNC1)CCN2C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.6424077
LogD (pH = 7.4)
-1.2234684
Log P
0.42635682
Molar Refractivity
52.9001
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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