Molecule

ID:40409

General Information
Structure
MolImage
Molecular Formula
C₅H₇ClN₂
Molecular Mass
130.57548
Exact Mass
130.02977591
Charge
0
InChI
InChI=1S/C5H7ClN2/c6-2-5-8-4-1-3-7-8/h1,3-4H,2,5H2
InChIKey
HUZHIOQELFFZBM-UHFFFAOYSA-N
Canonic Smiles
ClCCn1cccn1
Isomeric Smiles
n1(nccc1)CCCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.0654628
LogD (pH = 7.4)
1.0655941
Log P
1.0655957
Molar Refractivity
44.3047
Polarizability
12.590937
Polar Surface Area
17.82
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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