Molecule

ID:30082

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁ClN₂O
Molecular Mass
174.62804
Exact Mass
174.05599066
Charge
0
InChI
InChI=1S/C7H11ClN2O/c8-2-6-11-7-5-10-4-1-3-9-10/h1,3-4H,2,5-7H2
InChIKey
UJSDSCNMNQTDAF-UHFFFAOYSA-N
Canonic Smiles
ClCCOCCn1cccn1
Isomeric Smiles
n1(nccc1)CCOCCCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.0184903
LogD (pH = 7.4)
1.0186186
Log P
1.0186203
Molar Refractivity
55.3482
Polarizability
16.983961
Polar Surface Area
27.05
Rotatable Bonds
5
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