5-(2-bromoethenyl)-1-[(2R,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

Formula:C11H13N2O5Br Mutagenic:high Tumorigenic:none Reproductive Effective:none 5-(2-bromoethenyl)-1-[(2R,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is a drug-like molecule.

MolName	5-(2-bromoethenyl)-1-[(2R,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
MolecularFormula	C11H13N2O5Br
Smiles	OC[C@@H]([C@@H](C1)O)O[C@H]1N(C=C(C=CBr)C(N1)=O)C1=O
InChI	InChI=1S/C11H13BrN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)/t7-,8+,9+/m0/s1
InChIK	ODZBBRURCPAEIQ-DJLDLDEBSA-N
TotalMolweight	333.137
Molweight	333.137
MonoisotopicMass	332.000784
CLogP	-0.7277
CLogS	-1.873
H Acceptors	7
H Donors	3
TotalSurfaceArea	201.32
Relative PSA	0.38392
PolarSurfaceArea	99.1
Druglikeness	2.0239
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57895
Fragments	1
Non HAtoms	19
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	3
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Sp3Atoms	8
Amides	2
StereoCon	this enantiomer

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