Molecule

ID:84405

General Information
Structure
MolImage
Molecular Formula
C₄H₁₁ClN₂
Molecular Mass
122.59654
Exact Mass
122.06107604
Charge
0
InChI
InChI=1S/C4H10N2.ClH/c1-3(2)4(5)6;/h3H,1-2H3,(H3,5,6);1H
InChIKey
VWXLCWNPSOUPPE-UHFFFAOYSA-N
Canonic Smiles
CC(C(=N)N)C.Cl
Isomeric Smiles
N=C(N)C(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.1323926
LogD (pH = 7.4)
-2.1320603
Log P
0.28306198
Molar Refractivity
36.2614
Polarizability
9.959052
Polar Surface Area
49.87
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