Molecule

ID:55089

General Information
Structure
MolImage
Molecular Formula
C₁₅H₉Cl₃N₂O
Molecular Mass
339.60376
Exact Mass
337.97804596
Charge
0
InChI
InChI=1S/C15H8Cl2N2O.ClH/c16-9-4-5-12-10(7-9)11(15(17)20)8-14(19-12)13-3-1-2-6-18-13;/h1-8H;1H
InChIKey
OXDHHZDEQKGJJX-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)c(cc(n2)c1ccccn1)C(=O)Cl.Cl
Isomeric Smiles
c1(c2c(nc(c1)c1ncccc1)ccc(c2)Cl)C(=O)Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.1259522
LogD (pH = 7.4)
4.1270967
Log P
4.1271114
Molar Refractivity
78.1341
Polarizability
32.61378
Polar Surface Area
42.85
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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