(1S,2S,6R,7R)-4-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Formula:C27H21N2O3Cl Mutagenic:high Tumorigenic:high Reproductive Effective:high (1S,2S,6R,7R)-4-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is a drug-like molecule.

MolName	(1S,2S,6R,7R)-4-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
MolecularFormula	C27H21N2O3Cl
Smiles	O=C([C@H]([C@H]1C=C[C@@H]2C1)[C@H]2C1=O)N1/N=C\c(c1ccccc1cc1)c1OCc(cc1)ccc1Cl
InChI	InChI=1S/C27H21ClN2O3/c28-20-10-5-16(6-11-20)15-33-23-12-9-17-3-1-2-4-21(17)22(23)14-29-30-26(31)24-18-7-8-19(13-18)25(24)27(30)32/h1-12,14,18-19,24-25H,13,15H2/t18-,19-,24-,25+/m1/s1
InChIK	RACGFZKTFLBFCJ-UEUXDIAVSA-N
TotalMolweight	456.928
Molweight	456.928
MonoisotopicMass	456.12407
CLogP	4.887
CLogS	-6.951
H Acceptors	5
TotalSurfaceArea	327.12
Relative PSA	0.15633
PolarSurfaceArea	58.97
Druglikeness	4.5093
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	low
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	4
Rotatable Bond	5
Rings Closures	6
Small Rings	7
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	7
Symmetricatoms	2
StereoCon	this enantiomer

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1 - (1S,2S,6R,7R)-4-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione | 2 - (1S,2S,6R,7R)-4-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

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