Molecule

ID:75499

General Information
Structure
MolImage
Molecular Formula
C₇H₄ClIN₄
Molecular Mass
306.49093
Exact Mass
305.91692183
Charge
0
InChI
InChI=1S/C7H4ClIN4/c8-6-1-2-7(12-11-6)13-4-5(9)3-10-13/h1-4H
InChIKey
ITGAMZMKSFYVNO-UHFFFAOYSA-N
Canonic Smiles
Ic1cnn(c1)c1ccc(nn1)Cl
Isomeric Smiles
n1cc(cn1c1ccc(nn1)Cl)I
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.209239
LogD (pH = 7.4)
2.2092457
Log P
2.209246
Molar Refractivity
61.6682
Polarizability
22.33004
Polar Surface Area
43.6
Rotatable Bonds
1
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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