Molecule

ID:18914

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClN₂
Molecular Mass
152.581
Exact Mass
152.01412585
Charge
0
InChI
InChI=1S/C7H5ClN2/c8-6-3-5-1-2-9-7(5)10-4-6/h1-4H,(H,9,10)
InChIKey
MFZQJIKENSPRSJ-UHFFFAOYSA-N
Canonic Smiles
Clc1cnc2c(c1)cc[nH]2
Isomeric Smiles
c12ncc(cc1cc[nH]2)Cl
Calculated Properties
JChem
Acid pKa
15.281926
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8254688
LogD (pH = 7.4)
1.8258374
Log P
1.8258421
Molar Refractivity
39.745
Polarizability
15.842259
Polar Surface Area
28.68
Rotatable Bonds
0
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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