Molecule
ID:33111
General Information
Molecular Formula
C₁₇H₁₀Cl₂N₂O₃
Molecular Mass
361.1789
Exact Mass
360.00684755
Charge
0
InChI
InChI=1S/C17H10Cl2N2O3/c18-9-7-12(19)15-13(8-9)20-14(24-15)5-6-21-16(22)10-3-1-2-4-11(10)17(21)23/h1-4,7-8H,5-6H2
InChIKey
REHOBHVQSJDHFY-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c2c(c1)nc(o2)CCN1C(=O)c2c(C1=O)cccc2
Isomeric Smiles
N1(C(=O)c2c(C1=O)cccc2)CCc1nc2c(o1)c(cc(c2)Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.50646
LogD (pH = 7.4)
3.5064604
Log P
3.5064604
Molar Refractivity
89.1252
Polarizability
34.741535
Polar Surface Area
63.41
Rotatable Bonds
3
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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