Molecule

ID:19504

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁NO
Molecular Mass
137.17904
Exact Mass
137.08406398
Charge
0
InChI
InChI=1S/C8H11NO/c1-2-10-8-6-4-3-5-7(8)9/h3-6H,2,9H2,1H3
InChIKey
ULHFFAFDSSHFDA-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccccc1N
Isomeric Smiles
c1(c(OCC)cccc1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3077753
LogD (pH = 7.4)
1.3429884
Log P
1.3434565
Molar Refractivity
41.9702
Polarizability
15.831177
Polar Surface Area
35.25
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
References
Bioactivity
Navigation