Molecule

ID:39916

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₂N₂O₂
Molecular Mass
332.48028
Exact Mass
332.24637827
Charge
0
InChI
InChI=1S/C20H32N2O2/c1-19(2,3)15-7-9-16(10-8-15)21-17-11-13-22(14-12-17)18(23)24-20(4,5)6/h7-10,17,21H,11-14H2,1-6H3
InChIKey
RNVSJDANLAJUQF-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(CC1)Nc1ccc(cc1)C(C)(C)C)OC(C)(C)C
Isomeric Smiles
C(=O)(N1CCC(Nc2ccc(C(C)(C)C)cc2)CC1)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.8012857
LogD (pH = 7.4)
3.916347
Log P
3.9180315
Molar Refractivity
100.0692
Polarizability
38.344807
Polar Surface Area
41.57
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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