Molecule

ID:15047

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)19-10-6-14(7-11-19)18-12-13-4-8-17-9-5-13/h4-5,8-9,14,18H,6-7,10-12H2,1-3H3
InChIKey
KVEICFWHRVQJAL-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(CC1)NCc1ccncc1)OC(C)(C)C
Isomeric Smiles
N1(CCC(CC1)NCc1ccncc1)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.926723
LogD (pH = 7.4)
-0.79961824
Log P
1.2408735
Molar Refractivity
82.3006
Polarizability
32.380486
Polar Surface Area
54.46
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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