Molecule

ID:15049

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₅N₃O₂
Molecular Mass
291.3886
Exact Mass
291.19467706
Charge
0
InChI
InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-9-6-12(7-10-19)14-13(11-17)5-4-8-18-14/h4-5,8,12H,6-7,9-11,17H2,1-3H3
InChIKey
MLZXYGQBPCNTJU-UHFFFAOYSA-N
Canonic Smiles
NCc1cccnc1C1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(CCC(CC1)c1c(cccn1)CN)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.5317876
LogD (pH = 7.4)
-0.2971186
Log P
1.399483
Molar Refractivity
82.3927
Polarizability
32.378338
Polar Surface Area
68.45
Rotatable Bonds
4
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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