N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-bromonaphthalen-1-yl)acetamide

Formula:C27H19N2OBr Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-bromonaphthalen-1-yl)acetamide is not a drug-like molecule.

MolName	N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-bromonaphthalen-1-yl)acetamide
MolecularFormula	C27H19N2OBr
Smiles	O=C(Cc(c1ccccc11)ccc1Br)N/N=C\c1c(cccc2)c2cc2ccccc12
InChI	InChI=1S/C27H19BrN2O/c28-26-14-13-20(21-9-5-6-12-24(21)26)16-27(31)30-29-17-25-22-10-3-1-7-18(22)15-19-8-2-4-11-23(19)25/h1-15,17H,16H2,(H,30,31)
InChIK	OAPMWYNUAWSSAR-UHFFFAOYSA-N
TotalMolweight	467.365
Molweight	467.365
MonoisotopicMass	466.068074
CLogP	7.5081
CLogS	-9.338
H Acceptors	3
H Donors	1
TotalSurfaceArea	323.18
Relative PSA	0.11142
PolarSurfaceArea	41.46
Druglikeness	2.5805
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	24
Sp3Atoms	1
Symmetricatoms	6
StereoCon

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