6-[(E)-2-[5-(2,3-dichlorophenyl)furan-2-yl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione

Formula:C16H9N3O5Cl2 Mutagenic:low Tumorigenic:high Reproductive Effective:none 6-[(E)-2-[5-(2,3-dichlorophenyl)furan-2-yl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione is a drug-like molecule.

MolName	6-[(E)-2-[5-(2,3-dichlorophenyl)furan-2-yl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
MolecularFormula	C16H9N3O5Cl2
Smiles	[O-][N+](C(C(N1)=O)=C(/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)NC1=O)=O
InChI	InChI=1S/C16H9Cl2N3O5/c17-10-3-1-2-9(13(10)18)12-7-5-8(26-12)4-6-11-14(21(24)25)15(22)20-16(23)19-11/h1-7H,(H2,19,20,22,23)
InChIK	LDNVABQMPPWPCZ-UHFFFAOYSA-N
TotalMolweight	394.169
Molweight	394.169
MonoisotopicMass	392.991926
CLogP	2.4469
CLogS	-6.338
H Acceptors	8
H Donors	2
TotalSurfaceArea	271.56
Relative PSA	0.34442
PolarSurfaceArea	117.16
Druglikeness	-1.5465
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Amides	2
AcidicOxygens	1
StereoCon

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