Molecule

ID:101335

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₂O
Molecular Mass
208.3
Exact Mass
208.15756327
Charge
0
InChI
InChI=1S/C12H20N2O/c1-13-10-11-6-4-5-7-12(11)15-9-8-14(2)3/h4-7,13H,8-10H2,1-3H3
InChIKey
WHBYXCTXAOHVPI-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccccc1OCCN(C)C
Isomeric Smiles
c1(c(OCCN(C)C)cccc1)CNC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.7328997
LogD (pH = 7.4)
-1.6233836
Log P
1.3925679
Molar Refractivity
63.7883
Polarizability
25.126122
Polar Surface Area
24.5
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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