Molecule

ID:28558

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁NO₂
Molecular Mass
247.33274
Exact Mass
247.15722892
Charge
0
InChI
InChI=1S/C15H21NO2/c1-12-5-7-16(8-6-12)10-14-9-13(11-17)3-4-15(14)18-2/h3-4,9,11-12H,5-8,10H2,1-2H3
InChIKey
YDLSBUYDKUMWHY-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1CN1CCC(CC1)C)C=O
Isomeric Smiles
c1(CN2CCC(CC2)C)c(ccc(c1)C=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.4873421
LogD (pH = 7.4)
2.173101
Log P
2.606859
Molar Refractivity
74.3385
Polarizability
28.426317
Polar Surface Area
29.54
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