Molecule

ID:78054

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀ClN
Molecular Mass
107.5819
Exact Mass
107.05017701
Charge
0
InChI
InChI=1S/C4H9N.ClH/c5-3-4-1-2-4;/h4H,1-3,5H2;1H
InChIKey
HXSNGAHNYZBZTH-UHFFFAOYSA-N
Canonic Smiles
NCC1CC1.Cl
Isomeric Smiles
NCC1CC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.869171
LogD (pH = 7.4)
-2.4582562
Log P
0.1551184
Molar Refractivity
21.8608
Polarizability
8.905697
Polar Surface Area
26.02
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
References
Bioactivity
Navigation