Molecule

ID:60053

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉N₃O₃
Molecular Mass
301.34036
Exact Mass
301.14264148
Charge
0
InChI
InChI=1S/C16H19N3O3/c1-22-16(21)12-8-6-11(7-9-12)10-19-15(20)13-4-2-3-5-14(13)17-18-19/h2-5,11-12H,6-10H2,1H3/t11-,12-
InChIKey
BEMIFCKFLHMUJC-HAQNSBGRSA-N
Canonic Smiles
COC(=O)[C@@H]1CC[C@H](CC1)Cn1nnc2c(c1=O)cccc2
Isomeric Smiles
n1(nnc2c(c1=O)cccc2)C[C@H]1CC[C@H](C(=O)OC)CC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.495582
LogD (pH = 7.4)
3.495582
Log P
3.495582
Molar Refractivity
84.8318
Polarizability
30.748228
Polar Surface Area
71.33
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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