Molecule

ID:68613

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄N₂O₂
Molecular Mass
276.37396
Exact Mass
276.18377802
Charge
0
InChI
InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-10-8-13(9-11-18)12-4-6-14(17)7-5-12/h4-7,13H,8-11,17H2,1-3H3
InChIKey
YRLQFRXDWBFGMK-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(CC1)c1ccc(cc1)N)OC(C)(C)C
Isomeric Smiles
N1(CCC(CC1)c1ccc(cc1)N)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.5060406
LogD (pH = 7.4)
2.5322332
Log P
2.5325778
Molar Refractivity
81.1745
Polarizability
31.053074
Polar Surface Area
55.56
Rotatable Bonds
3
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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