Molecule

ID:13510

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂O
Molecular Mass
180.24684
Exact Mass
180.12626314
Charge
0
InChI
InChI=1S/C10H16N2O/c1-13-7-3-6-12-9-10-4-2-5-11-8-10/h2,4-5,8,12H,3,6-7,9H2,1H3
InChIKey
JLQSEDOFFGXCFC-UHFFFAOYSA-N
Canonic Smiles
COCCCNCc1cccnc1
Isomeric Smiles
C(c1cccnc1)NCCCOC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.8087046
LogD (pH = 7.4)
-1.5500611
Log P
0.32690644
Molar Refractivity
53.058
Polarizability
20.854095
Polar Surface Area
34.15
Rotatable Bonds
6
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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