Molecule

ID:14958

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₂N₂O
Molecular Mass
258.35868
Exact Mass
258.17321333
Charge
0
InChI
InChI=1S/C16H22N2O/c1-17-10-12(19)11-18-15-8-4-2-6-13(15)14-7-3-5-9-16(14)18/h2,4,6,8,12,17,19H,3,5,7,9-11H2,1H3
InChIKey
FMMHNMZYUSRVGE-UHFFFAOYSA-N
Canonic Smiles
CNCC(Cn1c2ccccc2c2c1CCCC2)O
Isomeric Smiles
n1(c2c(c3c1CCCC3)cccc2)CC(CNC)O
Calculated Properties
JChem
Acid pKa
14.4387455
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.6854838
LogD (pH = 7.4)
0.20368339
Log P
2.5172935
Molar Refractivity
78.2418
Polarizability
31.490728
Polar Surface Area
37.19
Rotatable Bonds
4
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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