Molecule

ID:122703

General Information
Structure
MolImage
Molecular Formula
C₆H₉ClN₂
Molecular Mass
144.60206
Exact Mass
144.04542598
Charge
0
InChI
InChI=1S/C6H9ClN2/c1-6-2-4-8-9(6)5-3-7/h2,4H,3,5H2,1H3
InChIKey
WDWVCTCNJGSFCJ-UHFFFAOYSA-N
Canonic Smiles
ClCCn1nccc1C
Isomeric Smiles
n1(nccc1C)CCCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.264778
LogD (pH = 7.4)
1.2651522
Log P
1.265157
Molar Refractivity
49.4544
Polarizability
14.344317
Polar Surface Area
17.82
Rotatable Bonds
2
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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