Molecule
ID:113081
General Information
Molecular Formula
C₁₅H₁₇NO₂
Molecular Mass
243.30098
Exact Mass
243.12592879
Charge
0
InChI
InChI=1S/C15H17NO2/c1-15(2,3)18-14(17)16-12-8-9-13(16)11-7-5-4-6-10(11)12/h4-9,12-13H,1-3H3
InChIKey
KTZZRAGNIAZODS-UHFFFAOYSA-N
Canonic Smiles
O=C(N1C2C=CC1c1c2cccc1)OC(C)(C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)C2c3c(C1C=C2)cccc3
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.04124
LogD (pH = 7.4)
3.04124
Log P
3.04124
Molar Refractivity
70.5457
Polarizability
27.092474
Polar Surface Area
29.54
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...