Molecule

ID:75143

General Information
Structure
MolImage
Molecular Formula
C₁₇H₃₆N₂O₂
Molecular Mass
300.47994
Exact Mass
300.2776784
Charge
0
InChI
InChI=1S/C17H36N2O2/c1-17(2,3)21-16(20)19-15-13-11-9-7-5-4-6-8-10-12-14-18/h4-15,18H2,1-3H3,(H,19,20)
InChIKey
ZFSCBYAYUUFEPJ-UHFFFAOYSA-N
Canonic Smiles
NCCCCCCCCCCCCNC(=O)OC(C)(C)C
Isomeric Smiles
NCCCCCCCCCCCCNC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
16.170292
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.1795382
LogD (pH = 7.4)
1.5993148
Log P
4.2035265
Molar Refractivity
89.0596
Polarizability
35.469723
Polar Surface Area
64.35
Rotatable Bonds
14
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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