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

Formula:C19H14N3O5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[(E)-2-[4-[(2-chlorophenyl)methoxy]phenyl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione is a drug-like molecule.

MolName	6-[(E)-2-[4-[(2-chlorophenyl)methoxy]phenyl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
MolecularFormula	C19H14N3O5Cl
Smiles	[O-][N+](C(C(N1)=O)=C(/C=C/c(cc2)ccc2OCc(cccc2)c2Cl)NC1=O)=O
InChI	InChI=1S/C19H14ClN3O5/c20-15-4-2-1-3-13(15)11-28-14-8-5-12(6-9-14)7-10-16-17(23(26)27)18(24)22-19(25)21-16/h1-10H,11H2,(H2,21,22,24,25)
InChIK	BCUVBXUQSVVKHZ-UHFFFAOYSA-N
TotalMolweight	399.789
Molweight	399.789
MonoisotopicMass	399.062199
CLogP	2.2501
CLogS	-5.483
H Acceptors	8
H Donors	2
TotalSurfaceArea	290.21
Relative PSA	0.30812
PolarSurfaceArea	113.25
Druglikeness	-2.9214
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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