Molecule
ID:121667
General Information
Molecular Formula
C₁₄H₁₀ClN₃O
Molecular Mass
271.7017
Exact Mass
271.05123964
Charge
0
InChI
InChI=1S/C14H10ClN3O/c15-12-7-2-1-6-11(12)13-17-14(19-18-13)9-4-3-5-10(16)8-9/h1-8H,16H2
InChIKey
ONGIZTIVKDXDIB-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)c1onc(n1)c1ccccc1Cl
Isomeric Smiles
n1c(noc1c1cc(N)ccc1)c1c(Cl)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.9825017
LogD (pH = 7.4)
3.9837778
Log P
3.983794
Molar Refractivity
96.692
Polarizability
29.014277
Polar Surface Area
64.94
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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