Molecule

ID:66624

General Information
Structure
MolImage
Molecular Formula
C₁₆H₃₁N₃O₂
Molecular Mass
297.43624
Exact Mass
297.24162725
Charge
0
InChI
InChI=1S/C16H31N3O2/c1-15(2,3)21-14(20)18-8-6-16(4,7-9-18)19-12-10-17(5)11-13-19/h6-13H2,1-5H3
InChIKey
BPRGPSLSNOQMJA-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)C1(C)CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(CCC(CC1)(N1CCN(CC1)C)C)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-1.8459345
LogD (pH = 7.4)
-0.17055285
Log P
1.244817
Molar Refractivity
85.8279
Polarizability
33.694153
Polar Surface Area
36.02
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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