Molecule

ID:46946

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆ClNO
Molecular Mass
283.83674
Exact Mass
283.17029214
Charge
0
InChI
InChI=1S/C16H25NO.ClH/c1-12-10-13(16(2,3)4)7-8-15(12)18-14-6-5-9-17-11-14;/h7-8,10,14,17H,5-6,9,11H2,1-4H3;1H
InChIKey
MWVKJOISDPBZAI-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(ccc1OC1CCCNC1)C(C)(C)C.Cl
Isomeric Smiles
c1(cc(c(OC2CNCCC2)cc1)C)C(C)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.80380464
LogD (pH = 7.4)
1.9067849
Log P
3.9752133
Molar Refractivity
76.1639
Polarizability
30.093664
Polar Surface Area
21.26
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