Molecule

ID:48673

General Information
Structure
Molecular Formula
C₉H₁₁ClN₂
Molecular Mass
182.65004
Exact Mass
182.06107604
Charge
0
InChI
InChI=1S/C9H11ClN2/c10-8-4-3-5-9(11-8)12-6-1-2-7-12/h3-5H,1-2,6-7H2
InChIKey
VBMNALSMDIURFG-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(n1)N1CCCC1
Isomeric Smiles
n1c(N2CCCC2)cccc1Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6876438
LogD (pH = 7.4)
2.6880884
Log P
2.6880941
Molar Refractivity
52.0503
Polarizability
19.137907
Polar Surface Area
16.13
Rotatable Bonds
1
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