Molecule

ID:75316

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃NO₂
Molecular Mass
179.21572
Exact Mass
179.09462866
Charge
0
InChI
InChI=1S/C10H13NO2/c1-3-13-10(12)11(2)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3
InChIKey
QHGZFCAIXRVHID-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)N(c1ccccc1)C
Isomeric Smiles
N(c1ccccc1)(C)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0511212
LogD (pH = 7.4)
2.0511212
Log P
2.0511212
Molar Refractivity
50.4091
Polarizability
19.578568
Polar Surface Area
29.54
Rotatable Bonds
3
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