Molecule

ID:26825

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃ClN₂S
Molecular Mass
216.73092
Exact Mass
216.04879711
Charge
0
InChI
InChI=1S/C9H13ClN2S/c10-9-2-1-8(13-9)7-12-5-3-11-4-6-12/h1-2,11H,3-7H2
InChIKey
NPDBVJVCPISXFL-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(s1)CN1CCNCC1
Isomeric Smiles
s1c(ccc1CN1CCNCC1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0610384
LogD (pH = 7.4)
0.25380522
Log P
2.0616362
Molar Refractivity
56.2107
Polarizability
22.440407
Polar Surface Area
15.27
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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