Molecule

ID:104352

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₂N₂O₂
Molecular Mass
356.50168
Exact Mass
356.24637827
Charge
0
InChI
InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3
InChIKey
PGZRDDYTKFZSFR-UHFFFAOYSA-N
Canonic Smiles
O=C(N(C1CCC2(CC1N1CCCC1)CCCO2)C)Cc1ccccc1
Isomeric Smiles
CN(C1CCC2(CCCO2)CC1N1CCCC1)C(=O)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.82914925
LogD (pH = 7.4)
0.2654632
Log P
2.6034946
Molar Refractivity
104.4324
Polarizability
41.03713
Polar Surface Area
32.78
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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