Molecule

ID:125311

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇NO₂
Molecular Mass
195.25818
Exact Mass
195.12592879
Charge
0
InChI
InChI=1S/C11H17NO2/c1-8-6-11(14-3)9(4-5-12)7-10(8)13-2/h6-7H,4-5,12H2,1-3H3
InChIKey
UNQQFDCVEMVQHM-UHFFFAOYSA-N
Canonic Smiles
NCCc1cc(OC)c(cc1OC)C
Isomeric Smiles
O(c1cc(c(OC)cc1CCN)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.4194912
LogD (pH = 7.4)
-0.65220356
Log P
1.5857543
Molar Refractivity
57.254
Polarizability
22.259003
Polar Surface Area
44.48
Rotatable Bonds
4
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