Molecule

ID:28109

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₅NO₃
Molecular Mass
303.396
Exact Mass
303.18344367
Charge
0
InChI
InChI=1S/C18H25NO3/c1-18(2,3)22-17(21)19-11-7-10-15(13-19)16(20)12-14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3
InChIKey
NFEOVXHZRHXZHY-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCCN(C1)C(=O)OC(C)(C)C)Cc1ccccc1
Isomeric Smiles
C(=O)(N1CC(C(=O)Cc2ccccc2)CCC1)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
15.3948765
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.483298
LogD (pH = 7.4)
3.483298
Log P
3.483298
Molar Refractivity
86.1894
Polarizability
33.668587
Polar Surface Area
46.61
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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