Molecule

ID:63235

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉NO
Molecular Mass
253.33886
Exact Mass
253.14666423
Charge
0
InChI
InChI=1S/C17H19NO/c19-13-14-11-18(12-14)17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14,17,19H,11-13H2
InChIKey
GEFUGGQLCNKIQP-UHFFFAOYSA-N
Canonic Smiles
OCC1CN(C1)C(c1ccccc1)c1ccccc1
Isomeric Smiles
C(c1ccccc1)(c1ccccc1)N1CC(CO)C1
Calculated Properties
JChem
Acid pKa
15.391174
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.19419307
LogD (pH = 7.4)
1.9670423
Log P
2.8910418
Molar Refractivity
77.7642
Polarizability
30.59066
Polar Surface Area
23.47
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