Molecule

ID:16672

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄N₂O
Molecular Mass
236.35316
Exact Mass
236.1888634
Charge
0
InChI
InChI=1S/C14H24N2O/c1-13(2)8-11(9-14(3,4)16-13)15-10-12-6-5-7-17-12/h5-7,11,15-16H,8-10H2,1-4H3
InChIKey
MLCJEYPZOBAFBT-UHFFFAOYSA-N
Canonic Smiles
CC1(C)CC(NCc2ccco2)CC(N1)(C)C
Isomeric Smiles
C1C(CC(NC1(C)C)(C)C)NCc1ccco1
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.1860874
LogD (pH = 7.4)
-1.4579492
Log P
1.6299028
Molar Refractivity
69.9673
Polarizability
27.937689
Polar Surface Area
37.2
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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