Molecule

ID:33490

General Information
Structure
Molecular Formula
C₁₀H₉ClN₂O
Molecular Mass
208.64426
Exact Mass
208.0403406
Charge
0
InChI
InChI=1S/C10H9ClN2O/c1-7-4-2-3-5-8(7)10-12-9(6-11)14-13-10/h2-5H,6H2,1H3
InChIKey
DNKNARHPWPLDBY-UHFFFAOYSA-N
Canonic Smiles
ClCc1onc(n1)c1ccccc1C
Isomeric Smiles
n1c(noc1CCl)c1c(C)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4339666
LogD (pH = 7.4)
3.4339666
Log P
3.4339666
Molar Refractivity
66.3203
Polarizability
21.14849
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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