Molecule

ID:84386

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅Cl₃N₂
Molecular Mass
269.5985
Exact Mass
268.03008153
Charge
0
InChI
InChI=1S/C10H14Cl2N2.ClH/c1-3-14(4-2)7-8-5-9(11)13-10(12)6-8;/h5-6H,3-4,7H2,1-2H3;1H
InChIKey
ABOKBCXXUGTJFE-UHFFFAOYSA-N
Canonic Smiles
CCN(Cc1cc(Cl)nc(c1)Cl)CC.Cl
Isomeric Smiles
n1c(cc(cc1Cl)CN(CC)CC)Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.18686923
LogD (pH = 7.4)
1.9387755
Log P
3.0590298
Molar Refractivity
63.6732
Polarizability
24.031605
Polar Surface Area
16.13
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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