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

Formula:C15H10N4O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-nitrophenyl)-1-[2-(triazirin-1-yl)phenyl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(4-nitrophenyl)-1-[2-(triazirin-1-yl)phenyl]prop-2-en-1-one
MolecularFormula	C15H10N4O3
Smiles	[O-][N+](c1ccc(/C=C/C(c(cccc2)c2N2N=N2)=O)cc1)=O
InChI	InChI=1S/C15H10N4O3/c20-15(13-3-1-2-4-14(13)18-16-17-18)10-7-11-5-8-12(9-6-11)19(21)22/h1-10H
InChIK	ZEFBKMZTYMSNQL-UHFFFAOYSA-N
TotalMolweight	294.269
Molweight	294.269
MonoisotopicMass	294.075291
CLogP	3.1852
CLogS	-5.03
H Acceptors	7
TotalSurfaceArea	218.76
Relative PSA	0.31098
PolarSurfaceArea	90.62
Druglikeness	-5.663
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	3
AcidicOxygens	1
StereoCon

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