2-[(Z)-3-bromo-2,3-dichloro-1-nitroprop-2-enylidene]-1,3-dihydrobenzimidazole

Formula:C10H6N3O2BrCl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[(Z)-3-bromo-2,3-dichloro-1-nitroprop-2-enylidene]-1,3-dihydrobenzimidazole is a drug-like molecule.

MolName	2-[(Z)-3-bromo-2,3-dichloro-1-nitroprop-2-enylidene]-1,3-dihydrobenzimidazole
MolecularFormula	C10H6N3O2BrCl2
Smiles	[O-][N+](C(/C(/Cl)=C(\Cl)/Br)=C1Nc(cccc2)c2N1)=O
InChI	InChI=1S/C10H6BrCl2N3O2/c11-9(13)7(12)8(16(17)18)10-14-5-3-1-2-4-6(5)15-10/h1-4,14-15H
InChIK	RMCNNLINCVFSIL-UHFFFAOYSA-N
TotalMolweight	350.987
Molweight	350.987
MonoisotopicMass	348.902042
CLogP	3.2602
CLogS	-6.314
H Acceptors	5
H Donors	2
TotalSurfaceArea	201.66
Relative PSA	0.2645
PolarSurfaceArea	69.88
Druglikeness	-8.5725
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	allyl/benzyl chloride; 1,1-dihalo-alkene; 1,2-dihalo-alkene
Shape Index	0.5
Fragments	1
Non HAtoms	18
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	1
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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