(6E)-2,4-dibromo-6-[(N-hydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one

Formula:C13H9NO2Br2 Mutagenic:low Tumorigenic:low Reproductive Effective:none (6E)-2,4-dibromo-6-[(N-hydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one is a drug-like molecule.

MolName	(6E)-2,4-dibromo-6-[(N-hydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one
MolecularFormula	C13H9NO2Br2
Smiles	ON(/C=C(\C=C(C=C1Br)Br)/C1=O)c1ccccc1
InChI	InChI=1S/C13H9Br2NO2/c14-10-6-9(13(17)12(15)7-10)8-16(18)11-4-2-1-3-5-11/h1-8,18H
InChIK	KEYKBIONHCNSND-UHFFFAOYSA-N
TotalMolweight	371.027
Molweight	371.027
MonoisotopicMass	368.900001
CLogP	2.4871
CLogS	-3.838
H Acceptors	3
H Donors	1
TotalSurfaceArea	205.55
Relative PSA	0.14444
PolarSurfaceArea	40.54
Druglikeness	-6.9448
Mutagenic	low
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	2-halo-enone
Shape Index	0.55556
Fragments	1
Non HAtoms	18
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Symmetricatoms	2
StereoCon

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