Molecule

ID:54041

General Information
Structure
Molecular Formula
C₄H₉ClN₂
Molecular Mass
120.58066
Exact Mass
120.04542598
Charge
0
InChI
InChI=1S/C4H8N2.ClH/c5-4(6)3-1-2-3;/h3H,1-2H2,(H3,5,6);1H
InChIKey
JRYOZJIRAVZGMV-UHFFFAOYSA-N
Canonic Smiles
NC(=N)C1CC1.Cl
Isomeric Smiles
C1C(C1)C(=N)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.5961168
LogD (pH = 7.4)
-2.595659
Log P
-0.18066393
Molar Refractivity
34.4592
Polarizability
9.232384
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
References
Bioactivity
Navigation