Molecule

ID:123852

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀N₂O
Molecular Mass
256.3428
Exact Mass
256.15756327
Charge
0
InChI
InChI=1S/C16H20N2O/c1-2-6-15-14(4-1)5-3-7-16(15)19-13-12-18-10-8-17-9-11-18/h1-7,17H,8-13H2
InChIKey
OHELUTBQEZLZQB-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)CCOc1cccc2c1cccc2
Isomeric Smiles
N1(CCOc2c3c(ccc2)cccc3)CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.90463454
LogD (pH = 7.4)
0.43159825
Log P
2.2877674
Molar Refractivity
77.7459
Polarizability
31.977627
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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