Molecule

ID:51650

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)15(20)18-8-4-7-13-10-12(6-5-9-19)11-17-14(13)18/h10-11,19H,4-9H2,1-3H3
InChIKey
JCNMYQHMYZDUIR-UHFFFAOYSA-N
Canonic Smiles
OCCCc1cnc2c(c1)CCCN2C(=O)C(C)(C)C
Isomeric Smiles
c1(cnc2c(c1)CCCN2C(=O)C(C)(C)C)CCCO
Calculated Properties
JChem
Acid pKa
15.963308
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.7009008
LogD (pH = 7.4)
2.7016711
Log P
2.7016811
Molar Refractivity
79.9784
Polarizability
30.695166
Polar Surface Area
53.43
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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