Molecule

ID:43861

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₆N₂O
Molecular Mass
274.40114
Exact Mass
274.20451346
Charge
0
InChI
InChI=1S/C17H26N2O/c20-14-16-6-11-19(13-16)17-7-9-18(10-8-17)12-15-4-2-1-3-5-15/h1-5,16-17,20H,6-14H2
InChIKey
HGUHOOSPLSCJEM-UHFFFAOYSA-N
Canonic Smiles
OCC1CCN(C1)C1CCN(CC1)Cc1ccccc1
Isomeric Smiles
N1(C2CCN(CC2)Cc2ccccc2)CC(CC1)CO
Calculated Properties
JChem
Acid pKa
15.429259
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.8315008
LogD (pH = 7.4)
-1.6823157
Log P
1.3170971
Molar Refractivity
83.8943
Polarizability
32.822327
Polar Surface Area
26.71
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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