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

Formula:C21H14N4O4Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[(Z)-2-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione is a drug-like molecule.

MolName	6-[(Z)-2-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
MolecularFormula	C21H14N4O4Cl2
Smiles	[O-][N+](C(C(N1)=O)=C(/C=C\c2cn(Cc(ccc(Cl)c3)c3Cl)c3c2cccc3)NC1=O)=O
InChI	InChI=1S/C21H14Cl2N4O4/c22-14-7-5-13(16(23)9-14)11-26-10-12(15-3-1-2-4-18(15)26)6-8-17-19(27(30)31)20(28)25-21(29)24-17/h1-10H,11H2,(H2,24,25,28,29)
InChIK	ZHXQKKSSPPXDNG-UHFFFAOYSA-N
TotalMolweight	457.272
Molweight	457.272
MonoisotopicMass	456.03921
CLogP	3.0377
CLogS	-5.856
H Acceptors	8
H Donors	2
TotalSurfaceArea	319.43
Relative PSA	0.27014
PolarSurfaceArea	108.95
Druglikeness	-0.99462
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48387
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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