Molecule

ID:66054

General Information
Structure
MolImage
Molecular Formula
C₂₁H₃₂N₂O₂
Molecular Mass
344.49098
Exact Mass
344.24637827
Charge
0
InChI
InChI=1S/C21H32N2O2/c1-20(2,3)25-19(24)23-14-8-7-11-21(23)12-15-22(16-13-21)17-18-9-5-4-6-10-18/h4-6,9-10H,7-8,11-17H2,1-3H3
InChIKey
SZNJCDSUYKNZSE-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCCC21CCN(CC2)Cc1ccccc1)OC(C)(C)C
Isomeric Smiles
C1CC2(N(CC1)C(=O)OC(C)(C)C)CCN(CC2)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.61509126
LogD (pH = 7.4)
2.3303206
Log P
3.6157286
Molar Refractivity
101.7838
Polarizability
39.924984
Polar Surface Area
32.78
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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