Molecule

ID:19795

General Information
Structure
Molecular Formula
C₁₅H₁₇NO
Molecular Mass
227.30158
Exact Mass
227.13101417
Charge
0
InChI
InChI=1S/C15H17NO/c1-12-7-8-15(14(16)11-12)17-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10,16H2,1H3
InChIKey
DUNMQAMYFPNOLM-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)N)OCCc1ccccc1
Isomeric Smiles
c1(c(ccc(c1)C)OCCc1ccccc1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.4589791
LogD (pH = 7.4)
3.5124772
Log P
3.5132043
Molar Refractivity
71.6304
Polarizability
27.143501
Polar Surface Area
35.25
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