Molecule

ID:15765

General Information
Structure
MolImage
Molecular Formula
C₁₆H₃₁N₃O₂
Molecular Mass
297.43624
Exact Mass
297.24162725
Charge
0
InChI
InChI=1S/C16H31N3O2/c1-16(2,3)21-15(20)18-11-13-5-4-10-19(12-13)14-6-8-17-9-7-14/h13-14,17H,4-12H2,1-3H3,(H,18,20)
InChIKey
DUNDIGFYPOUEEK-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)NCC1CCCN(C1)C1CCNCC1
Isomeric Smiles
N1(CC(CCC1)CNC(=O)OC(C)(C)C)C1CCNCC1
Calculated Properties
JChem
Acid pKa
15.87165
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.517246
LogD (pH = 7.4)
-2.312222
Log P
1.0393603
Molar Refractivity
85.1185
Polarizability
33.694153
Polar Surface Area
53.6
Rotatable Bonds
5
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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