Molecule

ID:13256

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O
Molecular Mass
188.22578
Exact Mass
188.09496301
Charge
0
InChI
InChI=1S/C11H12N2O/c1-2-11(14-7-1)9-13-8-10-3-5-12-6-4-10/h1-7,13H,8-9H2
InChIKey
XOSIAFIXOKLHFK-UHFFFAOYSA-N
Canonic Smiles
n1ccc(cc1)CNCc1ccco1
Isomeric Smiles
c1cc(oc1)CNCc1ccncc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.94040304
LogD (pH = 7.4)
0.70925426
Log P
1.098642
Molar Refractivity
54.1526
Polarizability
21.090393
Polar Surface Area
38.06
Rotatable Bonds
4
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