Molecule

ID:69702

General Information
Structure
Molecular Formula
C₁₆H₁₅NO₂
Molecular Mass
253.2958
Exact Mass
253.11027873
Charge
0
InChI
InChI=1S/C16H15NO2/c18-14-11-17-15(12-7-3-1-4-8-12)16(19-14)13-9-5-2-6-10-13/h1-10,15-17H,11H2
InChIKey
LTPOSIZJPSDSIL-UHFFFAOYSA-N
Canonic Smiles
O=C1CNC(C(O1)c1ccccc1)c1ccccc1
Isomeric Smiles
N1CC(=O)OC(C1c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.762103
LogD (pH = 7.4)
2.82706
Log P
2.8279543
Molar Refractivity
72.1437
Polarizability
28.852766
Polar Surface Area
38.33
Rotatable Bonds
2
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
暂无数据
点击上传数据
References
Bioactivity
Navigation