N-[(Z)-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-cyano-2-fluorobenzamide

Formula:C26H17N3O2BrF Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-cyano-2-fluorobenzamide is not a drug-like molecule.

MolName	N-[(Z)-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-cyano-2-fluorobenzamide
MolecularFormula	C26H17N3O2BrF
Smiles	N#Cc(cc1)cc(F)c1C(N/N=C\c(c1ccccc1cc1)c1OCc(cc1)ccc1Br)=O
InChI	InChI=1S/C26H17BrFN3O2/c27-20-9-5-17(6-10-20)16-33-25-12-8-19-3-1-2-4-21(19)23(25)15-30-31-26(32)22-11-7-18(14-29)13-24(22)28/h1-13,15H,16H2,(H,31,32)
InChIK	ZQSDQYPRBFEWBE-UHFFFAOYSA-N
TotalMolweight	502.342
Molweight	502.342
MonoisotopicMass	501.048816
CLogP	6.4057
CLogS	-8.589
H Acceptors	5
H Donors	1
TotalSurfaceArea	351.8
Relative PSA	0.16933
PolarSurfaceArea	74.48
Druglikeness	-3.3895
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	2
StereoCon

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