(E)-N-(5-bromopyridin-2-yl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide

Formula:C14H9N3O3BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-(5-bromopyridin-2-yl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-(5-bromopyridin-2-yl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide
MolecularFormula	C14H9N3O3BrCl
Smiles	[O-][N+](c(cc(/C=C/C(Nc(cc1)ncc1Br)=O)cc1)c1Cl)=O
InChI	InChI=1S/C14H9BrClN3O3/c15-10-3-5-13(17-8-10)18-14(20)6-2-9-1-4-11(16)12(7-9)19(21)22/h1-8H,(H,17,18,20)
InChIK	HVCZWKYAEHCTKZ-UHFFFAOYSA-N
TotalMolweight	382.6
Molweight	382.6
MonoisotopicMass	380.95158
CLogP	2.8964
CLogS	-5.258
H Acceptors	6
H Donors	1
TotalSurfaceArea	245.21
Relative PSA	0.26871
PolarSurfaceArea	87.81
Druglikeness	-7.2409
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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