Molecule

ID:122385

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅NO₂
Molecular Mass
205.253
Exact Mass
205.11027873
Charge
0
InChI
InChI=1S/C12H15NO2/c1-2-10(13-5-1)9-3-4-11-12(8-9)15-7-6-14-11/h3-4,8,10,13H,1-2,5-7H2
InChIKey
LSNPFVDQLTUQCE-UHFFFAOYSA-N
Canonic Smiles
C1CNC(C1)c1ccc2c(c1)OCCO2
Isomeric Smiles
c12cc(C3NCCC3)ccc1OCCO2
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.7227585
LogD (pH = 7.4)
-1.3074405
Log P
1.5102917
Molar Refractivity
57.4746
Polarizability
22.792934
Polar Surface Area
30.49
Rotatable Bonds
1
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