(E)-1,1,1-trifluoro-4-(4-phenyldiazenylanilino)but-3-en-2-one

Formula:C16H12N3OF3 Mutagenic:high Tumorigenic:high Reproductive Effective:high (E)-1,1,1-trifluoro-4-(4-phenyldiazenylanilino)but-3-en-2-one is a drug-like molecule.

MolName	(E)-1,1,1-trifluoro-4-(4-phenyldiazenylanilino)but-3-en-2-one
MolecularFormula	C16H12N3OF3
Smiles	O=C(C(F)(F)F)/C=C/Nc(cc1)ccc1/N=N/c1ccccc1
InChI	InChI=1S/C16H12F3N3O/c17-16(18,19)15(23)10-11-20-12-6-8-14(9-7-12)22-21-13-4-2-1-3-5-13/h1-11,20H
InChIK	PWSSUNFQLORDDQ-UHFFFAOYSA-N
TotalMolweight	319.285
Molweight	319.285
MonoisotopicMass	319.093246
CLogP	4.0088
CLogS	-5.624
H Acceptors	4
H Donors	1
TotalSurfaceArea	241.21
Relative PSA	0.19701
PolarSurfaceArea	53.82
Druglikeness	-37.225
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	low
Nasty Functions	azo
Shape Index	0.69565
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	6
StereoCon

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