(2E,4Z,6Z)-2-phenoxybicyclo[6.2.0]deca-2,4,6-triene-9,9,10,10-tetracarbonitrile

Formula:C20H12N4O Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E,4Z,6Z)-2-phenoxybicyclo[6.2.0]deca-2,4,6-triene-9,9,10,10-tetracarbonitrile is a drug-like molecule.

MolName	(2E,4Z,6Z)-2-phenoxybicyclo[6.2.0]deca-2,4,6-triene-9,9,10,10-tetracarbonitrile
MolecularFormula	C20H12N4O
Smiles	N#CC(C(C12)/C=C\C=C/C=C1/Oc1ccccc1)(C2(C#N)C#N)C#N
InChI	InChI=1S/C20H12N4O/c21-11-19(12-22)16-9-5-2-6-10-17(18(16)20(19,13-23)14-24)25-15-7-3-1-4-8-15/h1-10,16,18H
InChIK	ZZYNEDMDSQMBAL-UHFFFAOYSA-N
TotalMolweight	324.342
Molweight	324.342
MonoisotopicMass	324.101111
CLogP	2.8619
CLogS	-5.066
H Acceptors	5
TotalSurfaceArea	266.63
Relative PSA	0.24093
PolarSurfaceArea	104.39
Druglikeness	-6.184
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	1,1-dinitrile
Shape Index	0.44
Fragments	1
Non HAtoms	25
NonCHAtoms	5
Electronegative Atoms	5
StereoCenters	2
Rotatable Bond	2
Rings Closures	3
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	5
Symmetricatoms	6
StereoCon	unknown chirality

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1 - (2E,4Z,6Z)-2-phenoxybicyclo[6.2.0]deca-2,4,6-triene-9,9,10,10-tetracarbonitrile | 2 - (2E,4Z,6Z)-2-phenoxybicyclo[6.2.0]deca-2,4,6-triene-9,9,10,10-tetracarbonitrile

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