2-(1,3-benzodioxol-5-yl)-N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide

Formula:C27H21N2O4Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-(1,3-benzodioxol-5-yl)-N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide is not a drug-like molecule.

MolName	2-(1,3-benzodioxol-5-yl)-N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
MolecularFormula	C27H21N2O4Cl
Smiles	O=C(Cc(cc1)cc2c1OCO2)N/N=C\c(c1ccccc1cc1)c1OCc(cc1)ccc1Cl
InChI	InChI=1S/C27H21ClN2O4/c28-21-9-5-18(6-10-21)16-32-24-12-8-20-3-1-2-4-22(20)23(24)15-29-30-27(31)14-19-7-11-25-26(13-19)34-17-33-25/h1-13,15H,14,16-17H2,(H,30,31)
InChIK	GCLJABVCXSCREA-UHFFFAOYSA-N
TotalMolweight	472.927
Molweight	472.927
MonoisotopicMass	472.118985
CLogP	6.4596
CLogS	-8.08
H Acceptors	6
H Donors	1
TotalSurfaceArea	354.55
Relative PSA	0.18618
PolarSurfaceArea	69.15
Druglikeness	4.0051
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.55882
Fragments	1
Non HAtoms	34
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	6
Symmetricatoms	2
StereoCon

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