Molecule

ID:56038

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉NO
Molecular Mass
193.28536
Exact Mass
193.14666423
Charge
0
InChI
InChI=1S/C12H19NO/c1-12(2,3)10-4-6-11(7-5-10)14-9-8-13/h4-7H,8-9,13H2,1-3H3
InChIKey
PMADTOCMHRNTRG-UHFFFAOYSA-N
Canonic Smiles
NCCOc1ccc(cc1)C(C)(C)C
Isomeric Smiles
C(c1ccc(cc1)OCCN)(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.3979509
LogD (pH = 7.4)
0.7076873
Log P
2.563647
Molar Refractivity
59.1369
Polarizability
23.527071
Polar Surface Area
35.25
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
暂无数据
点击上传数据
References
Bioactivity
Navigation