[4-[(2-naphthalen-1-ylacetyl)diazenyl]anilino] (E)-3-phenylprop-2-enoate

Formula:C27H21N3O3 Mutagenic:high Tumorigenic:high Reproductive Effective:high [4-[(2-naphthalen-1-ylacetyl)diazenyl]anilino] (E)-3-phenylprop-2-enoate is not a drug-like molecule.

MolName	[4-[(2-naphthalen-1-ylacetyl)diazenyl]anilino] (E)-3-phenylprop-2-enoate
MolecularFormula	C27H21N3O3
Smiles	O=C(Cc1cccc2ccccc12)/N=N/c(cc1)ccc1NOC(/C=C/c1ccccc1)=O
InChI	InChI=1S/C27H21N3O3/c31-26(19-22-11-6-10-21-9-4-5-12-25(21)22)29-28-23-14-16-24(17-15-23)30-33-27(32)18-13-20-7-2-1-3-8-20/h1-18,30H,19H2
InChIK	FDDGAGPTLWFRAY-UHFFFAOYSA-N
TotalMolweight	435.482
Molweight	435.482
MonoisotopicMass	435.158292
CLogP	7.1426
CLogS	-6.862
H Acceptors	6
H Donors	1
TotalSurfaceArea	347.62
Relative PSA	0.20298
PolarSurfaceArea	80.12
Druglikeness	-10.673
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	azo
Shape Index	0.66667
Fragments	1
Non HAtoms	33
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	3
Symmetricatoms	4
StereoCon

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