Molecule

ID:75490

General Information
Structure
MolImage
Molecular Formula
C₇H₄ClIN₄
Molecular Mass
306.49093
Exact Mass
305.91692183
Charge
0
InChI
InChI=1S/C7H4ClIN4/c8-6-1-7(11-4-10-6)13-3-5(9)2-12-13/h1-4H
InChIKey
SJJALIFOBUEFSW-UHFFFAOYSA-N
Canonic Smiles
Ic1cnn(c1)c1ncnc(c1)Cl
Isomeric Smiles
n1cc(cn1c1cc(ncn1)Cl)I
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.4831488
LogD (pH = 7.4)
2.4831774
Log P
2.483178
Molar Refractivity
60.6261
Polarizability
22.319572
Polar Surface Area
43.6
Rotatable Bonds
1
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
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References
Bioactivity
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