6-[(E)-2-[5-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione

Formula:C19H12N3O5BrClF Mutagenic:high Tumorigenic:none Reproductive Effective:none 6-[(E)-2-[5-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione is a drug-like molecule.

MolName	6-[(E)-2-[5-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
MolecularFormula	C19H12N3O5BrClF
Smiles	[O-][N+](C(C(N1)=O)=C(/C=C/c(cc(cc2)Br)c2OCc(c(F)ccc2)c2Cl)NC1=O)=O
InChI	InChI=1S/C19H12BrClFN3O5/c20-11-5-7-16(30-9-12-13(21)2-1-3-14(12)22)10(8-11)4-6-15-17(25(28)29)18(26)24-19(27)23-15/h1-8H,9H2,(H2,23,24,26,27)
InChIK	UPPGMYDDTDLKDT-UHFFFAOYSA-N
TotalMolweight	496.675
Molweight	496.675
MonoisotopicMass	494.963288
CLogP	3.0761
CLogS	-6.631
H Acceptors	8
H Donors	2
TotalSurfaceArea	315.19
Relative PSA	0.2837
PolarSurfaceArea	113.25
Druglikeness	-6.0514
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46667
Fragments	1
Non HAtoms	30
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Amides	2
AcidicOxygens	1
StereoCon

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