Molecule

ID:101325

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁N₃O₃
Molecular Mass
291.34554
Exact Mass
291.15829155
Charge
0
InChI
InChI=1S/C15H21N3O3/c1-15(2,3)21-14(20)18-8-6-17(7-9-18)13-10-12(11-19)4-5-16-13/h4-5,10-11H,6-9H2,1-3H3
InChIKey
HYYDJLGOSKKGBL-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccnc(c1)N1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(N1CCN(c2nccc(c2)C=O)CC1)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.8803537
LogD (pH = 7.4)
1.9173477
Log P
1.9178418
Molar Refractivity
80.9777
Polarizability
30.241323
Polar Surface Area
62.74
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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