Molecule

ID:54759

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClNO
Molecular Mass
199.67726
Exact Mass
199.07639175
Charge
0
InChI
InChI=1S/C10H13NO.ClH/c1-8(2)7-12-10-6-4-3-5-9(10)11;/h3-6H,1,7,11H2,2H3;1H
InChIKey
BLUYLCODXZLUJE-UHFFFAOYSA-N
Canonic Smiles
CC(=C)COc1ccccc1N.Cl
Isomeric Smiles
O(c1c(N)cccc1)CC(=C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9258198
LogD (pH = 7.4)
1.9607948
Log P
1.9612597
Molar Refractivity
50.6663
Polarizability
19.284441
Polar Surface Area
35.25
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