Molecule

ID:42080

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀ClN₃
Molecular Mass
267.713
Exact Mass
267.05632502
Charge
0
InChI
InChI=1S/C15H10ClN3/c16-14-13(11-7-3-1-4-8-11)18-19-15(17-14)12-9-5-2-6-10-12/h1-10H
InChIKey
RMDDWZKDMIUPAG-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(nnc1c1ccccc1)c1ccccc1
Isomeric Smiles
n1c(c(nnc1c1ccccc1)c1ccccc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.164098
LogD (pH = 7.4)
4.164098
Log P
4.1640983
Molar Refractivity
88.627
Polarizability
30.88985
Polar Surface Area
38.67
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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