Molecule

ID:66667

General Information
Structure
MolImage
Molecular Formula
C₅H₉ClN₂
Molecular Mass
132.59136
Exact Mass
132.04542598
Charge
0
InChI
InChI=1S/C5H8N2.ClH/c6-4-5-2-1-3-7-5;/h5,7H,1-3H2;1H/t5-;/m0./s1
InChIKey
QSJTUXCBPTVKQZ-JEDNCBNOSA-N
Canonic Smiles
N#C[C@@H]1CCCN1.Cl
Isomeric Smiles
N1[C@@H](CCC1)C#N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3179569
LogD (pH = 7.4)
-0.12872484
Log P
-0.039192542
Molar Refractivity
27.0436
Polarizability
10.578656
Polar Surface Area
35.82
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