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

Formula:C18H12N3O4ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[(E)-2-[2-(4-chlorophenyl)sulfanylphenyl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione is a drug-like molecule.

MolName	6-[(E)-2-[2-(4-chlorophenyl)sulfanylphenyl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
MolecularFormula	C18H12N3O4ClS
Smiles	[O-][N+](C(C(N1)=O)=C(/C=C/c(cccc2)c2Sc(cc2)ccc2Cl)NC1=O)=O
InChI	InChI=1S/C18H12ClN3O4S/c19-12-6-8-13(9-7-12)27-15-4-2-1-3-11(15)5-10-14-16(22(25)26)17(23)21-18(24)20-14/h1-10H,(H2,20,21,23,24)
InChIK	AJETZFQQWDWDNR-UHFFFAOYSA-N
TotalMolweight	401.829
Molweight	401.829
MonoisotopicMass	401.023704
CLogP	2.7231
CLogS	-5.928
H Acceptors	7
H Donors	2
TotalSurfaceArea	283.94
Relative PSA	0.3413
PolarSurfaceArea	129.32
Druglikeness	-2.4244
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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