Molecule

ID:64310

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂ClNSi
Molecular Mass
185.72608
Exact Mass
185.0427536
Charge
0
InChI
InChI=1S/C8H12ClNSi/c1-11(2,3)7-5-4-6-10-8(7)9/h4-6H,1-3H3
InChIKey
XBHSRUYPAJUPIE-UHFFFAOYSA-N
Canonic Smiles
Clc1ncccc1[Si](C)(C)C
Isomeric Smiles
c1(c([Si](C)(C)C)cccn1)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2079806
LogD (pH = 7.4)
3.2079997
Log P
3.208
Molar Refractivity
45.8308
Polarizability
19.813168
Polar Surface Area
12.89
Rotatable Bonds
1
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