Molecule

ID:75964

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄N₂O₃
Molecular Mass
292.37336
Exact Mass
292.17869264
Charge
0
InChI
InChI=1S/C16H24N2O3/c1-16(2,3)21-15(19)18-10-8-12(9-11-18)20-14-7-5-4-6-13(14)17/h4-7,12H,8-11,17H2,1-3H3
InChIKey
ISHIDQUFPVMERM-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(CC1)Oc1ccccc1N)OC(C)(C)C
Isomeric Smiles
O(c1ccccc1N)C1CCN(CC1)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.8899385
LogD (pH = 7.4)
1.9132937
Log P
1.9135998
Molar Refractivity
82.3731
Polarizability
31.739088
Polar Surface Area
64.79
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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