(E)-1-(2-bromophenyl)-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)prop-2-en-1-one

Formula:C19H12N3O3BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(2-bromophenyl)-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(2-bromophenyl)-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)prop-2-en-1-one
MolecularFormula	C19H12N3O3BrS
Smiles	[O-][N+](c(cc(/C=C/C(c(cccc1)c1Br)=O)cc1)c1Sc1ncccn1)=O
InChI	InChI=1S/C19H12BrN3O3S/c20-15-5-2-1-4-14(15)17(24)8-6-13-7-9-18(16(12-13)23(25)26)27-19-21-10-3-11-22-19/h1-12H
InChIK	HZAKVIILYGATAY-UHFFFAOYSA-N
TotalMolweight	442.292
Molweight	442.292
MonoisotopicMass	440.978273
CLogP	3.6074
CLogS	-5.685
H Acceptors	6
TotalSurfaceArea	294.34
Relative PSA	0.28161
PolarSurfaceArea	113.97
Druglikeness	-6.1629
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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