Molecule

ID:125289

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇NO
Molecular Mass
191.26948
Exact Mass
191.13101417
Charge
0
InChI
InChI=1S/C12H17NO/c1-9-8-13-10(2)12(14-9)11-6-4-3-5-7-11/h3-7,9-10,12-13H,8H2,1-2H3
InChIKey
FZEIVUHEODGHML-UHFFFAOYSA-N
Canonic Smiles
CC1NCC(OC1c1ccccc1)C
Isomeric Smiles
CC1NCC(C)OC1c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.51271075
LogD (pH = 7.4)
1.1917725
Log P
2.2060113
Molar Refractivity
56.8883
Polarizability
22.88145
Polar Surface Area
21.26
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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