Molecule

ID:63663

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆Cl₂N₂S
Molecular Mass
267.21844
Exact Mass
266.04112488
Charge
0
InChI
InChI=1S/C10H14N2S.2ClH/c1-2-10(8-12-5-1)13-9-3-6-11-7-4-9;;/h3-4,6-7,10,12H,1-2,5,8H2;2*1H
InChIKey
CXCKWTJWDUOURP-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)Sc1ccncc1.Cl.Cl
Isomeric Smiles
Cl.Cl.C1CC(Sc2ccncc2)CNC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.0742936
LogD (pH = 7.4)
-0.8662153
Log P
1.199442
Molar Refractivity
56.771
Polarizability
22.488901
Polar Surface Area
24.92
Rotatable Bonds
2
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