Molecule

ID:30603

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₂
Molecular Mass
193.2423
Exact Mass
193.11027873
Charge
0
InChI
InChI=1S/C11H15NO2/c1-12(2)6-7-14-11-5-3-4-10(8-11)9-13/h3-5,8-9H,6-7H2,1-2H3
InChIKey
QNVOGNNUHYBUHI-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1)OCCN(C)C
Isomeric Smiles
O=Cc1cc(OCCN(C)C)ccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.95252675
LogD (pH = 7.4)
0.81498057
Log P
1.5467215
Molar Refractivity
57.1243
Polarizability
21.789482
Polar Surface Area
29.54
Rotatable Bonds
5
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