Molecule

ID:83499

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉Cl₂N
Molecular Mass
212.15986
Exact Mass
211.08945497
Charge
0
InChI
InChI=1S/C9H18ClN.ClH/c1-8(2)5-7(10)6-9(3,4)11-8;/h7,11H,5-6H2,1-4H3;1H
InChIKey
MCYPZCNAVBMNQB-UHFFFAOYSA-N
Canonic Smiles
ClC1CC(C)(C)NC(C1)(C)C.Cl
Isomeric Smiles
N1C(CC(CC1(C)C)Cl)(C)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.342638
LogD (pH = 7.4)
-0.608021
Log P
1.8740764
Molar Refractivity
49.5827
Polarizability
19.918442
Polar Surface Area
12.03
Rotatable Bonds
0
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