Molecule

ID:16673

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆N₂O
Molecular Mass
262.39044
Exact Mass
262.20451346
Charge
0
InChI
InChI=1S/C16H26N2O/c1-15(2)9-13(10-16(3,4)18-15)17-11-12-7-5-6-8-14(12)19/h5-8,13,17-19H,9-11H2,1-4H3
InChIKey
ISXGYJNEVXELQL-UHFFFAOYSA-N
Canonic Smiles
Oc1ccccc1CNC1CC(C)(C)NC(C1)(C)C
Isomeric Smiles
C1(NCc2c(cccc2)O)CC(NC(C1)(C)C)(C)C
Calculated Properties
JChem
Acid pKa
7.9679747
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-3.661665
LogD (pH = 7.4)
-0.9395703
Log P
1.0756083
Molar Refractivity
79.5573
Polarizability
31.697933
Polar Surface Area
44.29
Rotatable Bonds
3
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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