Molecule

ID:52767

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉N₃O₃
Molecular Mass
265.30826
Exact Mass
265.14264148
Charge
0
InChI
InChI=1S/C13H19N3O3/c1-13(2,3)19-12(17)16-6-5-10-9(8-16)7-14-11(15-10)18-4/h7H,5-6,8H2,1-4H3
InChIKey
ZCQWTDGQUOIOEF-UHFFFAOYSA-N
Canonic Smiles
COc1ncc2c(n1)CCN(C2)C(=O)OC(C)(C)C
Isomeric Smiles
c12c(cnc(n1)OC)CN(CC2)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.482101
LogD (pH = 7.4)
1.482104
Log P
1.4821041
Molar Refractivity
70.1064
Polarizability
27.010435
Polar Surface Area
64.55
Rotatable Bonds
3
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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