Molecule

ID:30502

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃NO
Molecular Mass
163.21632
Exact Mass
163.09971404
Charge
0
InChI
InChI=1S/C10H13NO/c1-12-9-4-5-10-8(7-9)3-2-6-11-10/h4-5,7,11H,2-3,6H2,1H3
InChIKey
FRXSZNDVFUDTIR-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)CCCN2
Isomeric Smiles
c12c(cc(cc2)OC)CCCN1
Calculated Properties
JChem
LogD (pH = 7.4)
1.7563404
Log P
1.7728099
Molar Refractivity
50.6256
Polarizability
18.703949
Polar Surface Area
21.26
Rotatable Bonds
1
Lipinski's Rule of Five
true
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.165953
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