Molecule

ID:70989

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈N₂O₂
Molecular Mass
186.25142
Exact Mass
186.13682783
Charge
0
InChI
InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-5-4-7(11)6-10/h7H,4-6,10H2,1-3H3
InChIKey
XTIGSUFOTRCYOO-UHFFFAOYSA-N
Canonic Smiles
NCC1CCN1C(=O)OC(C)(C)C
Isomeric Smiles
N1(C(CC1)CN)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.7019773
LogD (pH = 7.4)
-1.5150285
Log P
0.24153264
Molar Refractivity
50.2049
Polarizability
20.017399
Polar Surface Area
55.56
Rotatable Bonds
3
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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