Molecule

ID:65576

General Information
Structure
Molecular Formula
C₁₅H₂₁N₃O₃
Molecular Mass
291.34554
Exact Mass
291.15829155
Charge
0
InChI
InChI=1S/C15H21N3O3/c1-14(2,3)12-17-9-7-16-8-10(11(9)20-12)18-13(19)21-15(4,5)6/h7-8H,1-6H3,(H,18,19)
InChIKey
RGXQPISGOOBERU-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)Nc1cncc2c1oc(n2)C(C)(C)C
Isomeric Smiles
c1(cncc2c1oc(n2)C(C)(C)C)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
11.512595
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.9357493
LogD (pH = 7.4)
2.9357233
Log P
2.9357553
Molar Refractivity
79.0015
Polarizability
31.327585
Polar Surface Area
77.25
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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