Molecule

ID:78417

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₂
Molecular Mass
193.2423
Exact Mass
193.11027873
Charge
0
InChI
InChI=1S/C11H15NO2/c1-14-11(13)6-5-9-3-2-4-10(7-9)8-12/h2-4,7H,5-6,8,12H2,1H3
InChIKey
WSFASYFZFSTLPQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCc1cccc(c1)CN
Isomeric Smiles
O=C(CCc1cccc(c1)CN)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6602093
LogD (pH = 7.4)
-0.7173266
Log P
1.3272252
Molar Refractivity
55.2091
Polarizability
21.820524
Polar Surface Area
52.32
Rotatable Bonds
5
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