2-[(E)-2-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one

Formula:C19H13N3O5BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-2-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one is a drug-like molecule.

MolName	2-[(E)-2-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one
MolecularFormula	C19H13N3O5BrCl
Smiles	[O-][N+](C(C(NC(/C=C/c(cc1)cc(Br)c1OCc(cccc1)c1Cl)=N1)=O)=C1O)=O
InChI	InChI=1S/C19H13BrClN3O5/c20-13-9-11(5-7-15(13)29-10-12-3-1-2-4-14(12)21)6-8-16-22-18(25)17(24(27)28)19(26)23-16/h1-9H,10H2,(H2,22,23,25,26)
InChIK	VACKMYIHWDTYBD-UHFFFAOYSA-N
TotalMolweight	478.685
Molweight	478.685
MonoisotopicMass	476.97271
CLogP	2.5988
CLogS	-6.929
H Acceptors	8
H Donors	2
TotalSurfaceArea	308.95
Relative PSA	0.28979
PolarSurfaceArea	116.74
Druglikeness	-4.4137
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Amides	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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