Molecule

ID:86375

General Information
Structure
Molecular Formula
C₁₆H₂₁N₃O₃
Molecular Mass
303.35624
Exact Mass
303.15829155
Charge
0
InChI
InChI=1S/C16H21N3O3/c1-21-15(20)11-6-4-2-3-5-10-14-18-16(19-22-14)13-9-7-8-12-17-13/h7-9,12H,2-6,10-11H2,1H3
InChIKey
WIQGRZSBZRKBOX-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCCCCCCc1onc(n1)c1ccccn1
Isomeric Smiles
n1c(CCCCCCCC(=O)OC)onc1c1ncccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.4926412
LogD (pH = 7.4)
3.4926412
Log P
3.4926412
Molar Refractivity
92.6644
Polarizability
32.101925
Polar Surface Area
78.11
Rotatable Bonds
10
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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