Molecule

ID:95950

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₆Cl₂FN₃S
Molecular Mass
384.2984432
Exact Mass
383.04260211
Charge
0
InChI
InChI=1S/C17H16Cl2FN3S/c1-23(2,3)16(11-8-12(18)10-13(19)9-11)22-17(24)21-15-7-5-4-6-14(15)20/h4-10H,1-3H3
InChIKey
ABSLRZYIDQTGOC-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)cc(c1)/C(=N/C(=N/c1ccccc1F)/[S-])/[N+](C)(C)C
Isomeric Smiles
N(=C(\c1cc(cc(c1)Cl)Cl)/[N+](C)(C)C)/C(=N/c1c(cccc1)F)/[S-]
Calculated Properties
JChem
Acid pKa
5.5358014
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.499999
LogD (pH = 7.4)
4.8129935
Log P
1.7618673
Molar Refractivity
115.4465
Polarizability
38.768482
Polar Surface Area
24.72
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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