Molecule

ID:105484

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₉NO₂
Molecular Mass
281.34896
Exact Mass
281.14157885
Charge
0
InChI
InChI=1S/C18H19NO2/c20-18-13-6-1-5-12(13)15-10-11-4-2-8-19-9-3-7-14(16(11)19)17(15)21-18/h10H,1-9H2
InChIKey
LLSRPENMALNOFW-UHFFFAOYSA-N
Canonic Smiles
O=c1oc2c3CCCN4c3c(cc2c2c1CCC2)CCC4
Isomeric Smiles
O=c1oc2c3CCCN4CCCc(cc2c2c1CCC2)c34
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5304847
LogD (pH = 7.4)
3.5360343
Log P
3.5361056
Molar Refractivity
83.2363
Polarizability
31.065573
Polar Surface Area
29.54
Rotatable Bonds
0
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