Molecule

ID:13624

General Information
Structure
Molecular Formula
C₁₂H₂₀N₂O
Molecular Mass
208.3
Exact Mass
208.15756327
Charge
0
InChI
InChI=1S/C12H20N2O/c1-11(2)15-9-5-7-13-10-12-6-3-4-8-14-12/h3-4,6,8,11,13H,5,7,9-10H2,1-2H3
InChIKey
MYIAQPLPXUNNRJ-UHFFFAOYSA-N
Canonic Smiles
CC(OCCCNCc1ccccn1)C
Isomeric Smiles
c1cnc(cc1)CNCCCOC(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.6315893
LogD (pH = 7.4)
0.037418846
Log P
1.1817613
Molar Refractivity
61.7032
Polarizability
24.543962
Polar Surface Area
34.15
Rotatable Bonds
7
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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