(E)-1-(4-hydroxyphenyl)-3-[4-(triazirin-1-yl)phenyl]prop-2-en-1-one

Formula:C15H11N3O2 Mutagenic:high Tumorigenic:low Reproductive Effective:none (E)-1-(4-hydroxyphenyl)-3-[4-(triazirin-1-yl)phenyl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(4-hydroxyphenyl)-3-[4-(triazirin-1-yl)phenyl]prop-2-en-1-one
MolecularFormula	C15H11N3O2
Smiles	Oc(cc1)ccc1C(/C=C/c(cc1)ccc1N1N=N1)=O
InChI	InChI=1S/C15H11N3O2/c19-14-8-4-12(5-9-14)15(20)10-3-11-1-6-13(7-2-11)18-16-17-18/h1-10,19H
InChIK	HFSGSBOUBBBVNI-UHFFFAOYSA-N
TotalMolweight	265.271
Molweight	265.271
MonoisotopicMass	265.085127
CLogP	3.7611
CLogS	-4.274
H Acceptors	5
H Donors	1
TotalSurfaceArea	201.44
Relative PSA	0.25174
PolarSurfaceArea	65.03
Druglikeness	-0.50279
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.7
Fragments	1
Non HAtoms	20
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	5
StereoCon

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