Molecule

ID:66672

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆N₂O₂
Molecular Mass
232.27834
Exact Mass
232.12117776
Charge
0
InChI
InChI=1S/C13H16N2O2/c1-13(2,3)17-12(16)15-7-6-9-8-10(14)4-5-11(9)15/h4-8H,14H2,1-3H3
InChIKey
KYCVRKPFNLCHLL-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)ccn2C(=O)OC(C)(C)C
Isomeric Smiles
n1(ccc2cc(ccc12)N)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.2312934
LogD (pH = 7.4)
2.2360804
Log P
2.2361417
Molar Refractivity
66.5444
Polarizability
26.62716
Polar Surface Area
57.25
Rotatable Bonds
2
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
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References
Bioactivity
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