Molecule

ID:31459

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇NO₂
Molecular Mass
207.26888
Exact Mass
207.12592879
Charge
0
InChI
InChI=1S/C12H17NO2/c1-13(2)8-5-9-15-12-7-4-3-6-11(12)10-14/h3-4,6-7,10H,5,8-9H2,1-2H3
InChIKey
DSHCOEWHRLVOTF-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1OCCCN(C)C
Isomeric Smiles
c1(c(OCCCN(C)C)cccc1)C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-1.3171287
LogD (pH = 7.4)
0.42266864
Log P
1.6066811
Molar Refractivity
61.9897
Polarizability
23.63467
Polar Surface Area
29.54
Rotatable Bonds
6
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