Molecule

ID:29605

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₈N₂O
Molecular Mass
312.44912
Exact Mass
312.22016353
Charge
0
InChI
InChI=1S/C20H28N2O/c1-5-22(6-2)19-9-7-18(8-10-19)21-11-12-23-20-14-16(3)13-17(4)15-20/h7-10,13-15,21H,5-6,11-12H2,1-4H3
InChIKey
UUNLALZWWDZFFI-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc(cc1)NCCOc1cc(C)cc(c1)C)CC
Isomeric Smiles
c1(N(CC)CC)ccc(NCCOc2cc(cc(c2)C)C)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.0031202
LogD (pH = 7.4)
4.604698
Log P
4.938576
Molar Refractivity
100.8122
Polarizability
37.493237
Polar Surface Area
24.5
Rotatable Bonds
8
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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