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

Formula:C14H8N2OBrCl Mutagenic:low Tumorigenic:low Reproductive Effective:none (2Z)-2-[(4Z)-5-bromo-2-chloro-4-hydroxyiminocyclohexa-2,5-dien-1-ylidene]-2-phenylacetonitrile is a drug-like molecule.

MolName	(2Z)-2-[(4Z)-5-bromo-2-chloro-4-hydroxyiminocyclohexa-2,5-dien-1-ylidene]-2-phenylacetonitrile
MolecularFormula	C14H8N2OBrCl
Smiles	N#C/C(/c1ccccc1)=C(/C=C1Br)\C(Cl)=C/C1=N/O
InChI	InChI=1S/C14H8BrClN2O/c15-12-6-10(13(16)7-14(12)18-19)11(8-17)9-4-2-1-3-5-9/h1-7,19H
InChIK	GHONPIOCXJHCAO-UHFFFAOYSA-N
TotalMolweight	335.588
Molweight	335.588
MonoisotopicMass	333.950851
CLogP	3.597
CLogS	-4.516
H Acceptors	3
H Donors	1
TotalSurfaceArea	217.18
Relative PSA	0.17575
PolarSurfaceArea	56.38
Druglikeness	-10.242
Mutagenic	low
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	allyl/benzyl chloride
Shape Index	0.57895
Fragments	1
Non HAtoms	19
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	1
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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