(1S,2S,6R,7R)-4-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione

Formula:C22H16N2O3Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:high (1S,2S,6R,7R)-4-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione is a drug-like molecule.

MolName	(1S,2S,6R,7R)-4-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
MolecularFormula	C22H16N2O3Cl2
Smiles	O=C([C@H]([C@@H]1C2=O)[C@@H]3C=C[C@H]1C31CC1)N2/N=C\c1ccc(-c(cc(cc2)Cl)c2Cl)o1
InChI	InChI=1S/C22H16Cl2N2O3/c23-11-1-5-16(24)13(9-11)17-6-2-12(29-17)10-25-26-20(27)18-14-3-4-15(19(18)21(26)28)22(14)7-8-22/h1-6,9-10,14-15,18-19H,7-8H2/t14-,15-,18-,19+/m1/s1
InChIK	XSVHTARFIJBVCC-RGCFKVTRSA-N
TotalMolweight	427.286
Molweight	427.286
MonoisotopicMass	426.053797
CLogP	4.197
CLogS	-6.623
H Acceptors	5
TotalSurfaceArea	284.54
Relative PSA	0.19417
PolarSurfaceArea	62.88
Druglikeness	7.3732
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	low
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	4
Rotatable Bond	3
Rings Closures	6
Small Rings	7
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	7
Symmetricatoms	1
StereoCon	this enantiomer

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1 - (1S,2S,6R,7R)-4-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione | 2 - (1S,2S,6R,7R)-4-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione

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