Molecule

ID:125916

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄N₂O₂
Molecular Mass
182.21966
Exact Mass
182.1055277
Charge
0
InChI
InChI=1S/C9H14N2O2/c12-8-10-5-9(13-8)6-11-3-1-7(9)2-4-11/h7H,1-6H2,(H,10,12)/t9-/m0/s1
InChIKey
TYAGAVRSOFABFO-VIFPVBQESA-N
Canonic Smiles
O=C1NC[C@]2(O1)CN1CCC2CC1
Isomeric Smiles
O=C1O[C@]2(CN3CCC2CC3)CN1
Calculated Properties
JChem
Acid pKa
13.165517
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.278625
LogD (pH = 7.4)
-1.7029971
Log P
-0.059428353
Molar Refractivity
46.8771
Polarizability
18.58235
Polar Surface Area
41.57
Rotatable Bonds
0
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
References
Bioactivity
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