(4-oxo-1,2,3-benzotriazin-3-yl)methyl (E)-3-(4-fluorophenyl)prop-2-enoate

Formula:C17H12N3O3F Mutagenic:high Tumorigenic:high Reproductive Effective:none (4-oxo-1,2,3-benzotriazin-3-yl)methyl (E)-3-(4-fluorophenyl)prop-2-enoate is a drug-like molecule.

MolName	(4-oxo-1,2,3-benzotriazin-3-yl)methyl (E)-3-(4-fluorophenyl)prop-2-enoate
MolecularFormula	C17H12N3O3F
Smiles	O=C(/C=C/c(cc1)ccc1F)OCN1N=Nc(cccc2)c2C1=O
InChI	InChI=1S/C17H12FN3O3/c18-13-8-5-12(6-9-13)7-10-16(22)24-11-21-17(23)14-3-1-2-4-15(14)19-20-21/h1-10H,11H2
InChIK	XEVJMBTUIXHJLX-UHFFFAOYSA-N
TotalMolweight	325.298
Molweight	325.298
MonoisotopicMass	325.08627
CLogP	2.8327
CLogS	-4.735
H Acceptors	6
TotalSurfaceArea	244.95
Relative PSA	0.25577
PolarSurfaceArea	71.33
Druglikeness	-6.4446
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
StereoCon

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