Molecule

ID:95685

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀Cl₂FN₃
Molecular Mass
286.1323032
Exact Mass
285.02358092
Charge
0
InChI
InChI=1S/C12H10Cl2FN3/c1-7-9(12(14)18(2)17-7)6-16-8-3-4-11(15)10(13)5-8/h3-6H,1-2H3
InChIKey
HHRABHRQPQOYGH-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(ccc1F)/N=C/c1c(C)nn(c1Cl)C
Isomeric Smiles
n1(c(c(c(n1)C)/C=N/c1ccc(c(c1)Cl)F)Cl)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.472367
LogD (pH = 7.4)
3.4725368
Log P
3.472539
Molar Refractivity
84.7096
Polarizability
26.369148
Polar Surface Area
30.18
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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