6-[(1E,3Z)-3-bromo-4-phenylbuta-1,3-dienyl]-5-nitro-1H-pyrimidine-2,4-dione

Formula:C14H10N3O4Br Mutagenic:high Tumorigenic:low Reproductive Effective:none 6-[(1E,3Z)-3-bromo-4-phenylbuta-1,3-dienyl]-5-nitro-1H-pyrimidine-2,4-dione is a drug-like molecule.

MolName	6-[(1E,3Z)-3-bromo-4-phenylbuta-1,3-dienyl]-5-nitro-1H-pyrimidine-2,4-dione
MolecularFormula	C14H10N3O4Br
Smiles	[O-][N+](C(C(N1)=O)=C(/C=C/C(/Br)=C/c2ccccc2)NC1=O)=O
InChI	InChI=1S/C14H10BrN3O4/c15-10(8-9-4-2-1-3-5-9)6-7-11-12(18(21)22)13(19)17-14(20)16-11/h1-8H,(H2,16,17,19,20)
InChIK	UDQIICRGZWTUSG-UHFFFAOYSA-N
TotalMolweight	364.154
Molweight	364.154
MonoisotopicMass	362.985468
CLogP	1.5452
CLogS	-4.551
H Acceptors	7
H Donors	2
TotalSurfaceArea	234.61
Relative PSA	0.33852
PolarSurfaceArea	104.02
Druglikeness	-8.0661
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	1
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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