6-[(Z)-2-[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione

Formula:C21H14N4O4ClF Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[(Z)-2-[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione is a drug-like molecule.

MolName	6-[(Z)-2-[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
MolecularFormula	C21H14N4O4ClF
Smiles	[O-][N+](C(C(N1)=O)=C(/C=C\c2cn(Cc(c(F)ccc3)c3Cl)c3c2cccc3)NC1=O)=O
InChI	InChI=1S/C21H14ClFN4O4/c22-15-5-3-6-16(23)14(15)11-26-10-12(13-4-1-2-7-18(13)26)8-9-17-19(27(30)31)20(28)25-21(29)24-17/h1-10H,11H2,(H2,24,25,28,29)
InChIK	KBIXDCSGKIOZKA-UHFFFAOYSA-N
TotalMolweight	440.817
Molweight	440.817
MonoisotopicMass	440.068761
CLogP	2.5325
CLogS	-5.434
H Acceptors	8
H Donors	2
TotalSurfaceArea	310.36
Relative PSA	0.27803
PolarSurfaceArea	108.95
Druglikeness	-2.3346
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.45161
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	2
Amides	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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