Molecule

ID:56079

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₂
Molecular Mass
193.2423
Exact Mass
193.11027873
Charge
0
InChI
InChI=1S/C11H15NO2/c1-2-3-7-14-11(13)9-5-4-6-10(12)8-9/h4-6,8H,2-3,7,12H2,1H3
InChIKey
FOFJXIVZCGTINY-UHFFFAOYSA-N
Canonic Smiles
CCCCOC(=O)c1cccc(c1)N
Isomeric Smiles
O(C(=O)c1cc(ccc1)N)CCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.4704802
LogD (pH = 7.4)
2.4716804
Log P
2.471696
Molar Refractivity
56.6573
Polarizability
21.410097
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