Molecule

ID:19878

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₂O
Molecular Mass
208.3
Exact Mass
208.15756327
Charge
0
InChI
InChI=1S/C12H20N2O/c1-10-5-6-11(13)12(9-10)15-8-4-7-14(2)3/h5-6,9H,4,7-8,13H2,1-3H3
InChIKey
FGNLIPUOBZQKNW-UHFFFAOYSA-N
Canonic Smiles
CN(CCCOc1cc(C)ccc1N)C
Isomeric Smiles
c1(c(ccc(c1)C)N)OCCCN(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.819023
LogD (pH = 7.4)
-0.27552736
Log P
1.5786742
Molar Refractivity
65.1473
Polarizability
24.654749
Polar Surface Area
38.49
Rotatable Bonds
5
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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