Molecule

ID:26816

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀N₂O
Molecular Mass
268.3535
Exact Mass
268.15756327
Charge
0
InChI
InChI=1S/C17H20N2O/c1-2-4-15(5-3-1)14-20-17-8-6-16(7-9-17)19-12-10-18-11-13-19/h1-9,18H,10-14H2
InChIKey
BSYHPGDHIZWPSR-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)c1ccc(cc1)OCc1ccccc1
Isomeric Smiles
N1(c2ccc(OCc3ccccc3)cc2)CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.09878661
LogD (pH = 7.4)
1.6055865
Log P
3.112163
Molar Refractivity
82.3178
Polarizability
31.769356
Polar Surface Area
24.5
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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