Molecule

ID:41557

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅NO₂
Molecular Mass
205.253
Exact Mass
205.11027873
Charge
0
InChI
InChI=1S/C12H15NO2/c1-12(2,3)8-4-5-10-9(6-8)13-11(14)7-15-10/h4-6H,7H2,1-3H3,(H,13,14)
InChIKey
RBEMVEIJGYOVMA-UHFFFAOYSA-N
Canonic Smiles
O=C1COc2c(N1)cc(cc2)C(C)(C)C
Isomeric Smiles
N1c2cc(C(C)(C)C)ccc2OCC1=O
Calculated Properties
JChem
Acid pKa
11.616916
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.29967
LogD (pH = 7.4)
2.2996452
Log P
2.2996702
Molar Refractivity
59.491
Polarizability
22.439966
Polar Surface Area
38.33
Rotatable Bonds
1
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