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

Formula:C17H12N3O3Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none (4-oxo-1,2,3-benzotriazin-3-yl)methyl (E)-3-(3-chlorophenyl)prop-2-enoate is a drug-like molecule.

MolName	(4-oxo-1,2,3-benzotriazin-3-yl)methyl (E)-3-(3-chlorophenyl)prop-2-enoate
MolecularFormula	C17H12N3O3Cl
Smiles	O=C(/C=C/c1cccc(Cl)c1)OCN1N=Nc(cccc2)c2C1=O
InChI	InChI=1S/C17H12ClN3O3/c18-13-5-3-4-12(10-13)8-9-16(22)24-11-21-17(23)14-6-1-2-7-15(14)19-20-21/h1-10H,11H2
InChIK	ZFYMOOOHBJKZPA-UHFFFAOYSA-N
TotalMolweight	341.753
Molweight	341.753
MonoisotopicMass	341.056719
CLogP	3.3379
CLogS	-5.157
H Acceptors	6
TotalSurfaceArea	254.02
Relative PSA	0.24663
PolarSurfaceArea	71.33
Druglikeness	-5.0246
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.625
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
StereoCon

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