Molecule

ID:114355

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClN₄S
Molecular Mass
250.70738
Exact Mass
250.00799492
Charge
0
InChI
InChI=1S/C10H7ClN4S/c11-8-3-4-9-12-13-10(15(9)14-8)6-7-2-1-5-16-7/h1-5H,6H2
InChIKey
BJBFZKPLPRFQMS-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2n(n1)c(nn2)Cc1cccs1
Isomeric Smiles
n12c(nnc1ccc(n2)Cl)Cc1sccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.3869646
LogD (pH = 7.4)
2.387028
Log P
2.3870287
Molar Refractivity
75.9084
Polarizability
23.543114
Polar Surface Area
43.08
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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