Molecule

ID:69397

General Information
Structure
Molecular Formula
C₁₀H₁₈N₂O₂
Molecular Mass
198.26212
Exact Mass
198.13682783
Charge
0
InChI
InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-8-6-4-11-5-7(6)8/h6-8,11H,4-5H2,1-3H3,(H,12,13)
InChIKey
QIYOMZXJQAKHEK-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)NC1C2C1CNC2
Isomeric Smiles
C(=O)(NC1C2CNCC12)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
14.9078
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.1222308
LogD (pH = 7.4)
-2.905
Log P
0.1161806
Molar Refractivity
52.7768
Polarizability
21.132917
Polar Surface Area
50.36
Rotatable Bonds
3
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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