5-[(Z)-2-bromoethenyl]-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

Formula:C11H13N2O6Br Mutagenic:none Tumorigenic:none Reproductive Effective:low 5-[(Z)-2-bromoethenyl]-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is a drug-like molecule.

MolName	5-[(Z)-2-bromoethenyl]-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
MolecularFormula	C11H13N2O6Br
Smiles	OCC(C(C1O)O)OC1N(C=C(/C=C\Br)C(N1)=O)C1=O
InChI	InChI=1S/C11H13BrN2O6/c12-2-1-5-3-14(11(19)13-9(5)18)10-8(17)7(16)6(4-15)20-10/h1-3,6-8,10,15-17H,4H2,(H,13,18,19)
InChIK	GCQYYIHYQMVWLT-UHFFFAOYSA-N
TotalMolweight	349.136
Molweight	349.136
MonoisotopicMass	347.995699
CLogP	-1.5798
CLogS	-1.474
H Acceptors	8
H Donors	4
TotalSurfaceArea	206.41
Relative PSA	0.43791
PolarSurfaceArea	119.33
Druglikeness	0.45069
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.55
Fragments	1
Non HAtoms	20
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	4
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Sp3Atoms	9
Amides	2
StereoCon	unknown chirality

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