(2Z)-2-[(4E)-5-bromo-2-chloro-4-hydroxyiminocyclohexa-2,5-dien-1-ylidene]-2-(4-chlorophenyl)acetonitrile

Formula:C14H7N2OBrCl2 Mutagenic:low Tumorigenic:low Reproductive Effective:low (2Z)-2-[(4E)-5-bromo-2-chloro-4-hydroxyiminocyclohexa-2,5-dien-1-ylidene]-2-(4-chlorophenyl)acetonitrile is a drug-like molecule.

MolName	(2Z)-2-[(4E)-5-bromo-2-chloro-4-hydroxyiminocyclohexa-2,5-dien-1-ylidene]-2-(4-chlorophenyl)acetonitrile
MolecularFormula	C14H7N2OBrCl2
Smiles	N#C/C(/c(cc1)ccc1Cl)=C(/C=C1Br)\C(Cl)=C/C1=N\O
InChI	InChI=1S/C14H7BrCl2N2O/c15-12-5-10(13(17)6-14(12)19-20)11(7-18)8-1-3-9(16)4-2-8/h1-6,20H
InChIK	ZLUIJLPDZFBGBE-UHFFFAOYSA-N
TotalMolweight	370.033
Molweight	370.033
MonoisotopicMass	367.911878
CLogP	4.203
CLogS	-5.252
H Acceptors	3
H Donors	1
TotalSurfaceArea	232.6
Relative PSA	0.1641
PolarSurfaceArea	56.38
Druglikeness	-10.242
Mutagenic	low
Tumorigenic	low
Reproductive Effective	low
Irritant	none
Nasty Functions	allyl/benzyl chloride
Shape Index	0.6
Fragments	1
Non HAtoms	20
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	1
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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