2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyrimidine

Formula:C10H7N3O3 Mutagenic:low Tumorigenic:high Reproductive Effective:none 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyrimidine is a drug-like molecule.

MolName	2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyrimidine
MolecularFormula	C10H7N3O3
Smiles	[O-][N+](c1ccc(/C=C/c2ncccn2)o1)=O
InChI	InChI=1S/C10H7N3O3/c14-13(15)10-5-3-8(16-10)2-4-9-11-6-1-7-12-9/h1-7H
InChIK	QYWCIRZOGSMFAW-UHFFFAOYSA-N
TotalMolweight	217.184
Molweight	217.184
MonoisotopicMass	217.048742
CLogP	0.8114
CLogS	-2.699
H Acceptors	6
TotalSurfaceArea	170.4
Relative PSA	0.39008
PolarSurfaceArea	84.74
Druglikeness	-3.3278
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6875
Fragments	1
Non HAtoms	16
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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