Molecule

ID:44871

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₅N₃O₃
Molecular Mass
307.388
Exact Mass
307.18959168
Charge
0
InChI
InChI=1S/C16H25N3O3/c1-15(2,3)13(20)19-12-7-11(8-17-10-12)9-18-14(21)22-16(4,5)6/h7-8,10H,9H2,1-6H3,(H,18,21)(H,19,20)
InChIKey
KEIVTOMJUMVZDI-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)NCc1cncc(c1)NC(=O)C(C)(C)C
Isomeric Smiles
c1(cncc(c1)NC(=O)C(C)(C)C)CNC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
12.458739
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.3963633
LogD (pH = 7.4)
2.4104984
Log P
2.410686
Molar Refractivity
85.8129
Polarizability
32.795765
Polar Surface Area
80.32
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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