(E)-3-(2-aminopyridin-1-ium-1-yl)-1-(3-bromophenyl)prop-2-en-1-one

Formula:C14H12N2OBr Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(2-aminopyridin-1-ium-1-yl)-1-(3-bromophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(2-aminopyridin-1-ium-1-yl)-1-(3-bromophenyl)prop-2-en-1-one
MolecularFormula	C14H12N2OBr
Smiles	Nc1[n+](/C=C/C(c2cccc(Br)c2)=O)cccc1
InChI	InChI=1S/C14H11BrN2O/c15-12-5-3-4-11(10-12)13(18)7-9-17-8-2-1-6-14(17)16/h1-10,16H/p+1
InChIK	NTPFNSBECVGDQC-UHFFFAOYSA-O
TotalMolweight	304.166
Molweight	304.166
MonoisotopicMass	303.013299
CLogP	-1.8633
CLogS	-3.838
H Acceptors	3
H Donors	1
TotalSurfaceArea	201.72
Relative PSA	0.15403
PolarSurfaceArea	46.97
Druglikeness	-2.1131
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61111
Fragments	1
Non HAtoms	18
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Aromatic Nitrogens	1
StereoCon

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