Molecule

ID:69768

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁NO
Molecular Mass
137.17904
Exact Mass
137.08406398
Charge
0
InChI
InChI=1S/C8H11NO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7,9H2
InChIKey
IMLAIXAZMVDRGA-UHFFFAOYSA-N
Canonic Smiles
NCCOc1ccccc1
Isomeric Smiles
NCCOc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.9430071
LogD (pH = 7.4)
-0.83736897
Log P
1.0185907
Molar Refractivity
40.471
Polarizability
16.225569
Polar Surface Area
35.25
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
References
Bioactivity
Navigation