Molecule

ID:40443

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂ClNO₂
Molecular Mass
189.63938
Exact Mass
189.05565631
Charge
0
InChI
InChI=1S/C8H11NO2.ClH/c1-10-8-5-3-2-4-7(8)6-11-9;/h2-5H,6,9H2,1H3;1H
InChIKey
VTZSQCSODFGNCD-UHFFFAOYSA-N
Canonic Smiles
NOCc1ccccc1OC.Cl
Isomeric Smiles
c1(c(OC)cccc1)CON.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.1920462
LogD (pH = 7.4)
1.2041101
Log P
1.2042662
Molar Refractivity
43.4068
Polarizability
16.897823
Polar Surface Area
44.48
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