Molecule

ID:118577

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₃NO₂
Molecular Mass
203.23712
Exact Mass
203.09462866
Charge
0
InChI
InChI=1S/C12H13NO2/c1-2-8-15-11-5-3-4-10-9(11)6-7-13-12(10)14/h2-5H,1,6-8H2,(H,13,14)
InChIKey
RVOVWSHGFGIHLY-UHFFFAOYSA-N
Canonic Smiles
C=CCOc1cccc2c1CCNC2=O
Isomeric Smiles
C1(=O)c2c(c(OCC=C)ccc2)CCN1
Calculated Properties
JChem
Acid pKa
14.36309
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6610291
LogD (pH = 7.4)
1.6610292
Log P
1.6610292
Molar Refractivity
58.9686
Polarizability
22.068464
Polar Surface Area
38.33
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