Molecule

ID:53987

General Information
Structure
MolImage
Molecular Formula
C₆H₃ClN₂
Molecular Mass
138.55442
Exact Mass
137.99847579
Charge
0
InChI
InChI=1S/C6H3ClN2/c7-5-1-2-9-6(3-5)4-8/h1-3H
InChIKey
DYEZRXLVZMZHQT-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(ncc1)C#N
Isomeric Smiles
c1cnc(cc1Cl)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6015633
LogD (pH = 7.4)
1.6015645
Log P
1.6015645
Molar Refractivity
34.0555
Polarizability
13.164591
Polar Surface Area
36.68
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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