Molecule

ID:58312

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄N₂O
Molecular Mass
166.22026
Exact Mass
166.11061308
Charge
0
InChI
InChI=1S/C9H14N2O/c1-7-6-9(11-12-7)8-4-2-3-5-10-8/h6,8,10H,2-5H2,1H3
InChIKey
BYXVVIQOTFWZNV-UHFFFAOYSA-N
Canonic Smiles
Cc1onc(c1)C1CCCCN1
Isomeric Smiles
C1CNC(CC1)c1cc(on1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1588455
LogD (pH = 7.4)
0.5717806
Log P
1.2394956
Molar Refractivity
47.2628
Polarizability
18.077297
Polar Surface Area
38.06
Rotatable Bonds
1
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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