Molecule

ID:51651

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₂N₂O₃
Molecular Mass
302.36818
Exact Mass
302.16304257
Charge
0
InChI
InChI=1S/C17H22N2O3/c1-17(2,3)16(21)19-9-5-6-13-10-12(11-18-15(13)19)7-8-14(20)22-4/h7-8,10-11H,5-6,9H2,1-4H3/b8-7+
InChIKey
BQVQCJGHSIKDMY-BQYQJAHWSA-N
Canonic Smiles
COC(=O)/C=C/c1cnc2c(c1)CCCN2C(=O)C(C)(C)C
Isomeric Smiles
c1(cnc2c(c1)CCCN2C(=O)C(C)(C)C)/C=C/C(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.2777112
LogD (pH = 7.4)
3.2778668
Log P
3.2778687
Molar Refractivity
85.5775
Polarizability
32.595657
Polar Surface Area
59.5
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation