Molecule

ID:72174

General Information
Structure
MolImage
Molecular Formula
C₇H₉ClN₂O
Molecular Mass
172.61216
Exact Mass
172.0403406
Charge
0
InChI
InChI=1S/C7H9ClN2O/c8-4-6-9-7(11-10-6)5-2-1-3-5/h5H,1-4H2
InChIKey
OHNJTQRSUDKTKX-UHFFFAOYSA-N
Canonic Smiles
ClCc1noc(n1)C1CCC1
Isomeric Smiles
n1c(onc1CCl)C1CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2262566
LogD (pH = 7.4)
2.2262566
Log P
2.2262566
Molar Refractivity
42.4926
Polarizability
15.7649145
Polar Surface Area
38.92
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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