Molecule

ID:50748

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀ClN₃O
Molecular Mass
271.7017
Exact Mass
271.05123964
Charge
0
InChI
InChI=1S/C14H10ClN3O/c1-9-16-14(18-19-9)11-7-8-12(17-13(11)15)10-5-3-2-4-6-10/h2-8H,1H3
InChIKey
HNFXGBWWRJNJRC-UHFFFAOYSA-N
Canonic Smiles
Cc1onc(n1)c1ccc(nc1Cl)c1ccccc1
Isomeric Smiles
c1(nc(on1)C)c1c(nc(cc1)c1ccccc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.024867
LogD (pH = 7.4)
4.0248675
Log P
4.0248675
Molar Refractivity
84.9993
Polarizability
29.480255
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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