Molecule

ID:20960

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇NO₂
Molecular Mass
207.26888
Exact Mass
207.12592879
Charge
0
InChI
InChI=1S/C12H17NO2/c1-14-11-3-2-4-12(9-11)15-10-5-7-13-8-6-10/h2-4,9-10,13H,5-8H2,1H3
InChIKey
DNZZLFXWMVOBBV-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)OC1CCNCC1
Isomeric Smiles
N1CCC(Oc2cc(OC)ccc2)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.9057373
LogD (pH = 7.4)
-1.0614187
Log P
1.3016615
Molar Refractivity
59.1408
Polarizability
23.5271
Polar Surface Area
30.49
Rotatable Bonds
3
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
暂无数据
点击上传数据
References
Bioactivity
Navigation