(3E)-3-[(4-chloroanilino)methylidene]-5-phenyl-1-oxa-5-azaspiro[5.5]undecane-2,4-dione

Formula:C22H21N2O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (3E)-3-[(4-chloroanilino)methylidene]-5-phenyl-1-oxa-5-azaspiro[5.5]undecane-2,4-dione is a drug-like molecule.

MolName	(3E)-3-[(4-chloroanilino)methylidene]-5-phenyl-1-oxa-5-azaspiro[5.5]undecane-2,4-dione
MolecularFormula	C22H21N2O3Cl
Smiles	O=C(/C(/C(OC12CCCCC2)=O)=C\Nc(cc2)ccc2Cl)N1c1ccccc1
InChI	InChI=1S/C22H21ClN2O3/c23-16-9-11-17(12-10-16)24-15-19-20(26)25(18-7-3-1-4-8-18)22(28-21(19)27)13-5-2-6-14-22/h1,3-4,7-12,15,24H,2,5-6,13-14H2
InChIK	HASOBUMCPJZHJK-UHFFFAOYSA-N
TotalMolweight	396.873
Molweight	396.873
MonoisotopicMass	396.12407
CLogP	3.5435
CLogS	-5.493
H Acceptors	5
H Donors	1
TotalSurfaceArea	292.62
Relative PSA	0.1746
PolarSurfaceArea	58.64
Druglikeness	-4.6128
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	6
Amides	1
StereoCon

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