Molecule

ID:79053

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉Cl₂N₃O
Molecular Mass
306.14676
Exact Mass
305.01226728
Charge
0
InChI
InChI=1S/C14H9Cl2N3O/c1-8-13(14(20)9-2-4-10(15)5-3-9)19-12(17-8)7-6-11(16)18-19/h2-7H,1H3
InChIKey
XQHKFAHWEJLFKI-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C(=O)c1c(C)nc2n1nc(Cl)cc2
Isomeric Smiles
n12c(c(C)nc1ccc(n2)Cl)C(=O)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.5838468
LogD (pH = 7.4)
3.5918603
Log P
3.5919635
Molar Refractivity
89.489
Polarizability
29.670078
Polar Surface Area
47.26
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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