Molecule

ID:35267

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅NO
Molecular Mass
225.2857
Exact Mass
225.11536411
Charge
0
InChI
InChI=1S/C15H15NO/c1-2-6-12(7-3-1)15-11-16-10-13-8-4-5-9-14(13)17-15/h1-9,15-16H,10-11H2
InChIKey
REJFCSPYGGFJGI-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)C1CNCc2c(O1)cccc2
Isomeric Smiles
O1c2c(CNCC1c1ccccc1)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.018480495
LogD (pH = 7.4)
1.4990023
Log P
2.9866385
Molar Refractivity
68.083
Polarizability
26.954725
Polar Surface Area
21.26
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