(E)-2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile

Formula:C15H8N5O2Br Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile
MolecularFormula	C15H8N5O2Br
Smiles	N#C/C(/c([nH]c1c2)nc1ncc2Br)=C\c1cc([N+]([O-])=O)ccc1
InChI	InChI=1S/C15H8BrN5O2/c16-11-6-13-15(18-8-11)20-14(19-13)10(7-17)4-9-2-1-3-12(5-9)21(22)23/h1-6,8H,(H,18,19,20)
InChIK	XFIYMTTXSYUOKV-UHFFFAOYSA-N
TotalMolweight	370.166
Molweight	370.166
MonoisotopicMass	368.986136
CLogP	1.7369
CLogS	-4.468
H Acceptors	7
H Donors	1
TotalSurfaceArea	243.43
Relative PSA	0.32827
PolarSurfaceArea	111.18
Druglikeness	-10.723
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	1
Aromatic Nitrogens	3
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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