Molecule

ID:75927

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁NO
Molecular Mass
125.16834
Exact Mass
125.08406398
Charge
0
InChI
InChI=1S/C7H11NO/c1-6-7(5-8-2)3-4-9-6/h3-4,8H,5H2,1-2H3
InChIKey
IDODRBWAEHXURE-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccoc1C
Isomeric Smiles
o1c(c(cc1)CNC)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.1816704
LogD (pH = 7.4)
-0.7345194
Log P
0.8714015
Molar Refractivity
36.9691
Polarizability
14.160513
Polar Surface Area
25.17
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