Molecule

ID:15048

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄N₂O₃
Molecular Mass
280.36266
Exact Mass
280.17869264
Charge
0
InChI
InChI=1S/C15H24N2O3/c1-15(2,3)20-14(18)17-8-6-12(7-9-17)16-11-13-5-4-10-19-13/h4-5,10,12,16H,6-9,11H2,1-3H3
InChIKey
FMYHQCQBDNMUDS-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(CC1)NCc1ccco1)OC(C)(C)C
Isomeric Smiles
C1C(CCN(C1)C(=O)OC(C)(C)C)NCc1occc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3088658
LogD (pH = 7.4)
0.3534587
Log P
1.5187925
Molar Refractivity
76.8484
Polarizability
30.156113
Polar Surface Area
54.71
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
No Data Available
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Molecule Details
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References
Bioactivity
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