Molecule

ID:7606

General Information
Structure
MolImage
Molecular Formula
C₇H₄ClFN₂
Molecular Mass
170.5714632
Exact Mass
170.00470404
Charge
0
InChI
InChI=1S/C7H4ClFN2/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-3H,(H,10,11)
InChIKey
YITVVUARATZCAT-UHFFFAOYSA-N
Canonic Smiles
Clc1cc2[nH]cnc2cc1F
Isomeric Smiles
c1(c(cc2c(c1)[nH]cn2)F)Cl
Calculated Properties
JChem
Acid pKa
12.105827
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.5832915
LogD (pH = 7.4)
1.9950187
Log P
2.0062506
Molar Refractivity
39.9897
Polarizability
16.219538
Polar Surface Area
28.68
Rotatable Bonds
0
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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