Molecule

ID:77022

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O₂
Molecular Mass
206.24106
Exact Mass
206.1055277
Charge
0
InChI
InChI=1S/C11H14N2O2/c1-2-6-13-9-5-3-4-8(12)11(9)15-7-10(13)14/h3-5H,2,6-7,12H2,1H3
InChIKey
TYTDRJZGEZYZOK-UHFFFAOYSA-N
Canonic Smiles
CCCN1C(=O)COc2c1cccc2N
Isomeric Smiles
N1(c2cccc(c2OCC1=O)N)CCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.657629
LogD (pH = 7.4)
0.6689383
Log P
0.6690844
Molar Refractivity
57.914
Polarizability
21.82782
Polar Surface Area
55.56
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