Molecule

ID:117563

General Information
Structure
MolImage
Molecular Formula
C₇H₇ClFN₃
Molecular Mass
187.6019832
Exact Mass
187.03125314
Charge
0
InChI
InChI=1S/C7H7ClFN3/c8-5-3-4(12-7(10)11)1-2-6(5)9/h1-3H,(H4,10,11,12)
InChIKey
YZCRXUSPPZGVKK-UHFFFAOYSA-N
Canonic Smiles
NC(=N)Nc1ccc(c(c1)Cl)F
Isomeric Smiles
C(=N)(Nc1cc(c(cc1)F)Cl)N
Calculated Properties
JChem
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-0.71655816
LogD (pH = 7.4)
-0.44249168
Log P
1.6939855
Molar Refractivity
57.213
Polarizability
16.829332
Polar Surface Area
61.9
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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