(Z)-3-(2-bromo-4-nitroanilino)-1-pyridin-4-ylprop-2-en-1-one

Formula:C14H10N3O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-3-(2-bromo-4-nitroanilino)-1-pyridin-4-ylprop-2-en-1-one is a drug-like molecule.

MolName	(Z)-3-(2-bromo-4-nitroanilino)-1-pyridin-4-ylprop-2-en-1-one
MolecularFormula	C14H10N3O3Br
Smiles	[O-][N+](c(cc1)cc(Br)c1N/C=C\C(c1ccncc1)=O)=O
InChI	InChI=1S/C14H10BrN3O3/c15-12-9-11(18(20)21)1-2-13(12)17-8-5-14(19)10-3-6-16-7-4-10/h1-9,17H
InChIK	PBPQAHLLIRUYLD-UHFFFAOYSA-N
TotalMolweight	348.155
Molweight	348.155
MonoisotopicMass	346.990553
CLogP	1.2772
CLogS	-4.285
H Acceptors	6
H Donors	1
TotalSurfaceArea	229.79
Relative PSA	0.28674
PolarSurfaceArea	87.81
Druglikeness	-6.3725
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.66667
Fragments	1
Non HAtoms	21
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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