4-hydroxy-5-nitro-2-[(Z)-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]-1H-pyrimidin-6-one

Formula:C17H10N3O5F3 Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-hydroxy-5-nitro-2-[(Z)-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]-1H-pyrimidin-6-one is a drug-like molecule.

MolName	4-hydroxy-5-nitro-2-[(Z)-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]-1H-pyrimidin-6-one
MolecularFormula	C17H10N3O5F3
Smiles	[O-][N+](C(C(NC(/C=C\c1ccc(-c2c(C(F)(F)F)cccc2)o1)=N1)=O)=C1O)=O
InChI	InChI=1S/C17H10F3N3O5/c18-17(19,20)11-4-2-1-3-10(11)12-7-5-9(28-12)6-8-13-21-15(24)14(23(26)27)16(25)22-13/h1-8H,(H2,21,22,24,25)
InChIK	RIQXPCSAADVWRZ-UHFFFAOYSA-N
TotalMolweight	393.276
Molweight	393.276
MonoisotopicMass	393.057256
CLogP	1.7067
CLogS	-6.256
H Acceptors	8
H Donors	2
TotalSurfaceArea	270.29
Relative PSA	0.34644
PolarSurfaceArea	120.65
Druglikeness	-8.5265
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Symmetricatoms	2
Amides	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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