Molecule

ID:75132

General Information
Structure
MolImage
Molecular Formula
C₁₅H₃₂N₂O₂
Molecular Mass
272.42678
Exact Mass
272.24637827
Charge
0
InChI
InChI=1S/C15H32N2O2/c1-15(2,3)19-14(18)17-13-11-9-7-5-4-6-8-10-12-16/h4-13,16H2,1-3H3,(H,17,18)
InChIKey
RSAPJHYIFKJREV-UHFFFAOYSA-N
Canonic Smiles
NCCCCCCCCCCNC(=O)OC(C)(C)C
Isomeric Smiles
NCCCCCCCCCCNC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
16.170292
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.2904009
LogD (pH = 7.4)
0.7101775
Log P
3.3143892
Molar Refractivity
79.8576
Polarizability
31.783447
Polar Surface Area
64.35
Rotatable Bonds
12
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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