Molecule

ID:92725

General Information
Structure
MolImage
Molecular Formula
C₅H₄ClN
Molecular Mass
113.54496
Exact Mass
113.00322681
Charge
0
InChI
InChI=1S/C5H4ClN/c6-5-3-1-2-4-7-5/h1-4H
InChIKey
OKDGRDCXVWSXDC-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccn1
Isomeric Smiles
n1c(cccc1)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5797772
LogD (pH = 7.4)
1.579795
Log P
1.5797952
Molar Refractivity
29.7672
Polarizability
11.361662
Polar Surface Area
12.89
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