1,3-bis(2,4-dichlorophenyl)urea

Formula:C13H8N2OCl4 CAS:55268-52-5 ChemrytIQ

PropertyValue
Casrn55268-52-5
MolName1,3-bis(2,4-dichlorophenyl)urea
MolecularFormulaC13H8N2OCl4
SmilesO=C(Nc(ccc(Cl)c1)c1Cl)Nc(ccc(Cl)c1)c1Cl
InChIInChI=1S/C13H8Cl4N2O/c14-7-1-3-11(9(16)5-7)18-13(20)19-12-4-2-8(15)6-10(12)17/h1-6H,(H2,18,19,20)
InChIKSSKKWBCOWZDNRK-UHFFFAOYSA-N
CanonicalSyTyLFy2943d85264ceb822
TotalMolweight350.032
Molweight350.032
MonoisotopicMass347.939071
CLogP5.225
CLogS-6.588
H Acceptors3
H Donors2
TotalSurfaceArea235.37
Relative PSA0.15278
PolarSurfaceArea41.13
Druglikeness0.068126
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantlow
Nasty Functions
Shape Index0.65
Molecula Flexibility0.37085
Molecular Complexity0.70595
Fragments1
Non HAtoms20
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond2
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Symmetricatoms9
Amides2
StereoCon
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