Molecule

ID:38169

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉NO₂
Molecular Mass
245.31686
Exact Mass
245.14157885
Charge
0
InChI
InChI=1S/C15H19NO2/c17-14-10-18-12-15(7-4-8-15)11-16(14)9-13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2
InChIKey
FABJPZMJWOYBRW-UHFFFAOYSA-N
Canonic Smiles
O=C1COCC2(CN1Cc1ccccc1)CCC2
Isomeric Smiles
C1OCC2(CN(C1=O)Cc1ccccc1)CCC2
Calculated Properties
JChem
Acid pKa
19.773033
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8083681
LogD (pH = 7.4)
1.8083681
Log P
1.8083681
Molar Refractivity
69.7798
Polarizability
27.3405
Polar Surface Area
29.54
Rotatable Bonds
2
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