Molecule

ID:18179

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₃NO
Molecular Mass
187.23772
Exact Mass
187.09971404
Charge
0
InChI
InChI=1S/C12H13NO/c1-14-12-7-6-9-4-2-3-5-10(9)11(12)8-13/h2-7H,8,13H2,1H3
InChIKey
REAOSNBEURFYOE-UHFFFAOYSA-N
Canonic Smiles
NCc1c(OC)ccc2c1cccc2
Isomeric Smiles
c1(c2c(ccc1OC)cccc2)CN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0061245
LogD (pH = 7.4)
0.20607702
Log P
1.9308197
Molar Refractivity
57.4448
Polarizability
23.818247
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