Molecule

ID:77202

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO
Molecular Mass
173.21114
Exact Mass
173.08406398
Charge
0
InChI
InChI=1S/C11H11NO/c13-9-10-5-1-2-6-11(10)12-7-3-4-8-12/h1-8,13H,9H2
InChIKey
PMFMGYSILUCETA-UHFFFAOYSA-N
Canonic Smiles
OCc1ccccc1n1cccc1
Isomeric Smiles
n1(c2c(cccc2)CO)cccc1
Calculated Properties
JChem
Acid pKa
15.173318
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.1674147
LogD (pH = 7.4)
2.1674147
Log P
2.1674147
Molar Refractivity
62.6263
Polarizability
20.801727
Polar Surface Area
25.16
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