(E)-1-[2-(difluoromethoxy)phenyl]-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)prop-2-en-1-one

Formula:C20H13N3O4F2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[2-(difluoromethoxy)phenyl]-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[2-(difluoromethoxy)phenyl]-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)prop-2-en-1-one
MolecularFormula	C20H13N3O4F2S
Smiles	[O-][N+](c(cc(/C=C/C(c(cccc1)c1OC(F)F)=O)cc1)c1Sc1ncccn1)=O
InChI	InChI=1S/C20H13F2N3O4S/c21-19(22)29-17-5-2-1-4-14(17)16(26)8-6-13-7-9-18(15(12-13)25(27)28)30-20-23-10-3-11-24-20/h1-12,19H
InChIK	ASEVCKUUHATXDL-UHFFFAOYSA-N
TotalMolweight	429.402
Molweight	429.402
MonoisotopicMass	429.059483
CLogP	3.0516
CLogS	-5.473
H Acceptors	7
TotalSurfaceArea	310.91
Relative PSA	0.29877
PolarSurfaceArea	123.2
Druglikeness	-7.0577
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	3
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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