Molecule

ID:52907

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₅NO₂
Molecular Mass
275.3859
Exact Mass
275.18852905
Charge
0
InChI
InChI=1S/C17H25NO2/c1-17(2,3)20-16(19)18-12-8-7-11-15(18)13-14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3
InChIKey
RSMLBZLGNDVECE-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCCC1Cc1ccccc1)OC(C)(C)C
Isomeric Smiles
C1CN(C(CC1)Cc1ccccc1)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.013582
LogD (pH = 7.4)
4.013582
Log P
4.013582
Molar Refractivity
80.8683
Polarizability
31.759077
Polar Surface Area
29.54
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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