Molecule

ID:53854

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO
Molecular Mass
213.275
Exact Mass
213.11536411
Charge
0
InChI
InChI=1S/C14H15NO/c1-11-7-8-13(15)9-14(11)16-10-12-5-3-2-4-6-12/h2-9H,10,15H2,1H3
InChIKey
TZWRMTAIHRIAFC-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)OCc1ccccc1)C
Isomeric Smiles
c1(c(ccc(c1)N)C)OCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.1896641
LogD (pH = 7.4)
3.2240858
Log P
3.224543
Molar Refractivity
66.8754
Polarizability
25.372484
Polar Surface Area
35.25
Rotatable Bonds
3
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