(7E)-2-amino-7-[(2-chloro-4-iodophenyl)methylidene]-4-(2-chlorophenyl)-5,6-dihydro-4H-cyclopenta[b]pyran-3-carbonitrile

Formula:C22H15N2OCl2I Mutagenic:none Tumorigenic:none Reproductive Effective:none (7E)-2-amino-7-[(2-chloro-4-iodophenyl)methylidene]-4-(2-chlorophenyl)-5,6-dihydro-4H-cyclopenta[b]pyran-3-carbonitrile is not a drug-like molecule.

MolName	(7E)-2-amino-7-[(2-chloro-4-iodophenyl)methylidene]-4-(2-chlorophenyl)-5,6-dihydro-4H-cyclopenta[b]pyran-3-carbonitrile
MolecularFormula	C22H15N2OCl2I
Smiles	NC(OC(/C(/CC1)=C/c(ccc(I)c2)c2Cl)=C1C1c(cccc2)c2Cl)=C1C#N
InChI	InChI=1S/C22H15Cl2IN2O/c23-18-4-2-1-3-15(18)20-16-8-6-13(21(16)28-22(27)17(20)11-26)9-12-5-7-14(25)10-19(12)24/h1-5,7,9-10,20H,6,8,27H2/t20-/m0/s1
InChIK	AENAARWPMOERTL-FQEVSTJZSA-N
TotalMolweight	521.18
Molweight	521.18
MonoisotopicMass	519.960615
CLogP	6.1299
CLogS	-8.899
H Acceptors	3
H Donors	1
TotalSurfaceArea	313.94
Relative PSA	0.12369
PolarSurfaceArea	59.04
Druglikeness	-4.6618
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
BasicNitrogens	1
StereoCon	racemate

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1 - (7E)-2-amino-7-[(2-chloro-4-iodophenyl)methylidene]-4-(2-chlorophenyl)-5,6-dihydro-4H-cyclopenta[b]pyran-3-carbonitrile | 2 - (7E)-2-amino-7-[(2-chloro-4-iodophenyl)methylidene]-4-(2-chlorophenyl)-5,6-dihydro-4H-cyclopenta[b]pyran-3-carbonitrile

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