Molecule

ID:13547

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₂O
Molecular Mass
208.3
Exact Mass
208.15756327
Charge
0
InChI
InChI=1S/C12H20N2O/c1-14(2)9-8-13-10-11-4-6-12(15-3)7-5-11/h4-7,13H,8-10H2,1-3H3
InChIKey
QJYMFFDAQJBYQH-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CNCCN(C)C
Isomeric Smiles
c1c(ccc(c1)CNCCN(C)C)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.8370707
LogD (pH = 7.4)
-0.6099006
Log P
1.3925679
Molar Refractivity
63.7883
Polarizability
25.126114
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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