N'-(4-bromophenyl)sulfonyl-N-(4-oxocyclohexa-2,5-dien-1-ylidene)benzenecarboximidamide

Formula:C19H13N2O3BrS Mutagenic:low Tumorigenic:low Reproductive Effective:none N'-(4-bromophenyl)sulfonyl-N-(4-oxocyclohexa-2,5-dien-1-ylidene)benzenecarboximidamide is a drug-like molecule.

MolName	N'-(4-bromophenyl)sulfonyl-N-(4-oxocyclohexa-2,5-dien-1-ylidene)benzenecarboximidamide
MolecularFormula	C19H13N2O3BrS
Smiles	O=C(C=C1)C=CC1=N/C(/c1ccccc1)=N\S(c(cc1)ccc1Br)(=O)=O
InChI	InChI=1S/C19H13BrN2O3S/c20-15-6-12-18(13-7-15)26(24,25)22-19(14-4-2-1-3-5-14)21-16-8-10-17(23)11-9-16/h1-13H
InChIK	SWQRHZRYWQZKRW-UHFFFAOYSA-N
TotalMolweight	429.293
Molweight	429.293
MonoisotopicMass	427.983024
CLogP	3.6391
CLogS	-4.432
H Acceptors	5
TotalSurfaceArea	283.42
Relative PSA	0.22807
PolarSurfaceArea	84.31
Druglikeness	-2.4008
Mutagenic	low
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	7
BasicNitrogens	2
StereoCon

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