Molecule

ID:17239

General Information
Structure
Molecular Formula
C₁₁H₁₃NO
Molecular Mass
175.22702
Exact Mass
175.09971404
Charge
0
InChI
InChI=1S/C11H13NO/c13-9-10-5-1-2-6-11(10)12-7-3-4-8-12/h1-2,5-6,9H,3-4,7-8H2
InChIKey
QJHUKBIDTDKVSL-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1N1CCCC1
Isomeric Smiles
c1(N2CCCC2)c(cccc1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1987197
LogD (pH = 7.4)
2.1995785
Log P
2.1995895
Molar Refractivity
54.6116
Polarizability
20.001278
Polar Surface Area
20.31
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