Molecule

ID:62154

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂O₂
Molecular Mass
196.24624
Exact Mass
196.12117776
Charge
0
InChI
InChI=1S/C10H16N2O2/c13-6-4-8-7-10(12-14-8)9-3-1-2-5-11-9/h7,9,11,13H,1-6H2
InChIKey
RJQSJCLEFMNLBR-UHFFFAOYSA-N
Canonic Smiles
OCCc1onc(c1)C1CCCCN1
Isomeric Smiles
n1c(cc(o1)CCO)C1NCCCC1
Calculated Properties
JChem
Acid pKa
15.423152
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.1322935
LogD (pH = 7.4)
-0.40285823
Log P
0.25254545
Molar Refractivity
53.6719
Polarizability
20.555195
Polar Surface Area
58.29
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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