Molecule

ID:61616

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₀N₂O₃
Molecular Mass
336.3844
Exact Mass
336.14739251
Charge
0
InChI
InChI=1S/C20H20N2O3/c23-19-17-8-4-5-9-18(17)20(24)22(19)14-16-13-21(10-11-25-16)12-15-6-2-1-3-7-15/h1-9,16H,10-14H2
InChIKey
YAQSVEHQDFSDCR-UHFFFAOYSA-N
Canonic Smiles
O=C1N(CC2OCCN(C2)Cc2ccccc2)C(=O)c2c1cccc2
Isomeric Smiles
C1(=O)N(C(=O)c2ccccc12)CC1OCCN(C1)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.4741812
LogD (pH = 7.4)
2.4515533
Log P
2.5014834
Molar Refractivity
95.5879
Polarizability
36.25779
Polar Surface Area
49.85
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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