Molecule

ID:14675

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₂O
Molecular Mass
208.3
Exact Mass
208.15756327
Charge
0
InChI
InChI=1S/C12H20N2O/c1-3-15-10-6-9-13-11(2)12-7-4-5-8-14-12/h4-5,7-8,11,13H,3,6,9-10H2,1-2H3
InChIKey
ZOGYYTCOGROGAE-UHFFFAOYSA-N
Canonic Smiles
CCOCCCNC(c1ccccn1)C
Isomeric Smiles
c1(C(NCCCOCC)C)ccccn1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.5294019
LogD (pH = 7.4)
0.11299791
Log P
1.3339505
Molar Refractivity
61.7783
Polarizability
24.543612
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
No Data Available
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Molecule Details
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References
Bioactivity
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