Molecule

ID:33884

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈Cl₂N₂O
Molecular Mass
253.16872
Exact Mass
252.07961857
Charge
0
InChI
InChI=1S/C10H16N2O.2ClH/c11-9-3-5-12(6-4-9)8-10-2-1-7-13-10;;/h1-2,7,9H,3-6,8,11H2;2*1H
InChIKey
OIGZWCHPWGOVIZ-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)Cc1ccco1.Cl.Cl
Isomeric Smiles
N1(Cc2occc2)CCC(CC1)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.7275863
LogD (pH = 7.4)
-2.8198328
Log P
0.18606703
Molar Refractivity
52.3734
Polarizability
20.561651
Polar Surface Area
42.4
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