Molecule

ID:13669

General Information
Structure
MolImage
Molecular Formula
C₅H₃Cl₂N
Molecular Mass
147.99002
Exact Mass
146.96425446
Charge
0
InChI
InChI=1S/C5H3Cl2N/c6-4-1-2-8-5(7)3-4/h1-3H
InChIKey
TYPVHTOETJVYIV-UHFFFAOYSA-N
Canonic Smiles
Clc1ccnc(c1)Cl
Isomeric Smiles
c1c(nccc1Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1838381
LogD (pH = 7.4)
2.1838398
Log P
2.18384
Molar Refractivity
34.572
Polarizability
13.295659
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
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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