Molecule

ID:15764

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)18-12-13-6-10-19(11-7-13)14-4-8-17-9-5-14/h13-14,17H,4-12H2,1-3H3,(H,18,20)
InChIKey
YOQSKBHJINOZQI-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)NCC1CCN(CC1)C1CCNCC1
Isomeric Smiles
N1(CCC(CC1)CNC(=O)OC(C)(C)C)C1CCNCC1
Calculated Properties
JChem
Acid pKa
15.928805
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.715731
LogD (pH = 7.4)
-2.532007
Log P
0.99780357
Molar Refractivity
85.2173
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
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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