Molecule

ID:84474

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₄Cl₂N₄O
Molecular Mass
373.23596
Exact Mass
372.05446645
Charge
0
InChI
InChI=1S/C18H14Cl2N4O/c19-16-7-15(8-17(20)23-16)18(25)24(11-13-3-1-5-21-9-13)12-14-4-2-6-22-10-14/h1-10H,11-12H2
InChIKey
FZSRZIRVHDVRDB-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Cl)cc(c1)C(=O)N(Cc1cccnc1)Cc1cccnc1
Isomeric Smiles
N(C(=O)c1cc(nc(c1)Cl)Cl)(Cc1cnccc1)Cc1cnccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.571108
LogD (pH = 7.4)
2.7135923
Log P
2.715611
Molar Refractivity
99.4165
Polarizability
37.23214
Polar Surface Area
58.98
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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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