Molecule

ID:77447

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂
Molecular Mass
176.25814
Exact Mass
176.13134852
Charge
0
InChI
InChI=1S/C11H16N2/c1-12-8-9-3-4-11-10(7-9)5-6-13(11)2/h3-4,7,12H,5-6,8H2,1-2H3
InChIKey
QPUPWFNEDMKWGL-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccc2c(c1)CCN2C
Isomeric Smiles
N1(CCc2c1ccc(c2)CNC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5344485
LogD (pH = 7.4)
-0.6836825
Log P
1.679527
Molar Refractivity
57.0442
Polarizability
21.418152
Polar Surface Area
15.27
Rotatable Bonds
2
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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