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

Formula:C17H11N3O3Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (4-oxo-1,2,3-benzotriazin-3-yl)methyl (E)-3-(3,4-dichlorophenyl)prop-2-enoate is a drug-like molecule.

MolName	(4-oxo-1,2,3-benzotriazin-3-yl)methyl (E)-3-(3,4-dichlorophenyl)prop-2-enoate
MolecularFormula	C17H11N3O3Cl2
Smiles	O=C(/C=C/c(cc1)cc(Cl)c1Cl)OCN1N=Nc(cccc2)c2C1=O
InChI	InChI=1S/C17H11Cl2N3O3/c18-13-7-5-11(9-14(13)19)6-8-16(23)25-10-22-17(24)12-3-1-2-4-15(12)20-21-22/h1-9H,10H2
InChIK	UFBIFEWULPNRPE-UHFFFAOYSA-N
TotalMolweight	376.198
Molweight	376.198
MonoisotopicMass	375.017746
CLogP	3.9439
CLogS	-5.893
H Acceptors	6
TotalSurfaceArea	269.44
Relative PSA	0.23252
PolarSurfaceArea	71.33
Druglikeness	-5.0246
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
StereoCon

Click to Load Molecule:

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

Request More Details | (4-oxo-1,2,3-benzotriazin-3-yl)methyl (E)-3-(3,4-dichlorophenyl)prop-2-enoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments