Molecule

ID:20377

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO
Molecular Mass
213.275
Exact Mass
213.11536411
Charge
0
InChI
InChI=1S/C14H15NO/c1-10-4-3-5-13(8-10)16-14-7-6-12(15)9-11(14)2/h3-9H,15H2,1-2H3
InChIKey
HMCGPEZUQWSKPY-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C)Oc1cccc(c1)C
Isomeric Smiles
c1(c(cc(N)cc1)C)Oc1cc(ccc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.6144114
LogD (pH = 7.4)
3.6706824
Log P
3.67145
Molar Refractivity
67.0816
Polarizability
25.355808
Polar Surface Area
35.25
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