Molecule

ID:101982

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀ClN₃OS
Molecular Mass
303.7667
Exact Mass
303.02331064
Charge
0
InChI
InChI=1S/C14H10ClN3OS/c1-8-12(11-6-7-16-14(20)17-11)13(18-19-8)9-2-4-10(15)5-3-9/h2-7H,1H3,(H,16,17,20)
InChIKey
CPMAFFSFSCPOIQ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)c1noc(c1c1ccnc(n1)S)C
Isomeric Smiles
c1(c(noc1C)c1ccc(cc1)Cl)c1nc(ncc1)S
Calculated Properties
JChem
Acid pKa
9.1404295
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.0559325
LogD (pH = 7.4)
4.048503
Log P
4.056031
Molar Refractivity
81.603
Polarizability
33.144318
Polar Surface Area
51.81
Rotatable Bonds
2
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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