Molecule

ID:14869

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₆N₂O
Molecular Mass
274.40114
Exact Mass
274.20451346
Charge
0
InChI
InChI=1S/C17H26N2O/c1-2-5-15(6-3-1)14-19-10-8-16(9-11-19)18-13-17-7-4-12-20-17/h1-3,5-6,16-18H,4,7-14H2
InChIKey
LVNOGODKWOLGQG-UHFFFAOYSA-N
Canonic Smiles
C1COC(C1)CNC1CCN(CC1)Cc1ccccc1
Isomeric Smiles
N1(Cc2ccccc2)CCC(CC1)NCC1CCCO1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.1906137
LogD (pH = 7.4)
-1.0229962
Log P
1.9769897
Molar Refractivity
83.0118
Polarizability
32.897213
Polar Surface Area
24.5
Rotatable Bonds
5
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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