Molecule

ID:17110

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₂
Molecular Mass
208.25694
Exact Mass
208.12117776
Charge
0
InChI
InChI=1S/C11H16N2O2/c1-13(2)9(6-12)8-3-4-10-11(5-8)15-7-14-10/h3-5,9H,6-7,12H2,1-2H3
InChIKey
SXDFXSFPGBVGEB-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccc2c(c1)OCO2)N(C)C
Isomeric Smiles
c1(C(N(C)C)CN)cc2c(cc1)OCO2
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.9782898
LogD (pH = 7.4)
-0.8844468
Log P
0.8006593
Molar Refractivity
57.9876
Polarizability
23.204138
Polar Surface Area
47.72
Rotatable Bonds
3
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