Molecule

ID:24569

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁NO₂
Molecular Mass
165.18914
Exact Mass
165.0789786
Charge
0
InChI
InChI=1S/C9H11NO2/c1-6(10)7-2-3-8-9(4-7)12-5-11-8/h2-4,6H,5,10H2,1H3
InChIKey
ZWBXYAKHFVPCBF-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc2c(c1)OCO2)N
Isomeric Smiles
c12cc(ccc1OCO2)C(N)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.8605645
LogD (pH = 7.4)
-1.0263747
Log P
1.1388228
Molar Refractivity
44.7171
Polarizability
17.994442
Polar Surface Area
44.48
Rotatable Bonds
1
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