Molecule

ID:82199

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁ClN₂
Molecular Mass
134.60724
Exact Mass
134.06107604
Charge
0
InChI
InChI=1S/C5H10N2.ClH/c6-5-3-1-2-4-7-5;/h1-4H2,(H2,6,7);1H
InChIKey
ZHDTXTDHBRADLM-UHFFFAOYSA-N
Canonic Smiles
N=C1CCCCN1.Cl
Isomeric Smiles
N1C(=N)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.426731
LogD (pH = 7.4)
-2.4262009
Log P
-0.01127912
Molar Refractivity
39.3309
Polarizability
11.0722275
Polar Surface Area
35.88
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
References
Bioactivity
Navigation