Molecule

ID:12412

General Information
Structure
MolImage
Molecular Formula
C₅H₃ClIN
Molecular Mass
239.44149
Exact Mass
238.89987478
Charge
0
InChI
InChI=1S/C5H3ClIN/c6-5-3-4(7)1-2-8-5/h1-3H
InChIKey
KJKIPRQNFDUULB-UHFFFAOYSA-N
Canonic Smiles
Ic1ccnc(c1)Cl
Isomeric Smiles
c1cnc(cc1I)Cl
Calculated Properties
JChem
Lipinski's Rule of Five
true
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.508738
LogD (pH = 7.4)
2.5087397
Log P
2.5087397
Molar Refractivity
43.1297
Polarizability
16.709862
Polar Surface Area
12.89
Rotatable Bonds
0
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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