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

Formula:C21H15N5O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-nitro-6-[(E)-2-[1-[(2-nitrophenyl)methyl]indol-3-yl]ethenyl]-1H-pyrimidine-2,4-dione is not a drug-like molecule.

MolName	5-nitro-6-[(E)-2-[1-[(2-nitrophenyl)methyl]indol-3-yl]ethenyl]-1H-pyrimidine-2,4-dione
MolecularFormula	C21H15N5O6
Smiles	[O-][N+](c1c(Cn2c(cccc3)c3c(/C=C/C(NC(NC3=O)=O)=C3[N+]([O-])=O)c2)cccc1)=O
InChI	InChI=1S/C21H15N5O6/c27-20-19(26(31)32)16(22-21(28)23-20)10-9-13-11-24(18-8-4-2-6-15(13)18)12-14-5-1-3-7-17(14)25(29)30/h1-11H,12H2,(H2,22,23,27,28)
InChIK	MMZPRUVJFRLVMI-UHFFFAOYSA-N
TotalMolweight	433.379
Molweight	433.379
MonoisotopicMass	433.102235
CLogP	0.9041
CLogS	-4.844
H Acceptors	11
H Donors	2
TotalSurfaceArea	312.26
Relative PSA	0.37376
PolarSurfaceArea	154.77
Druglikeness	-1.0533
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.4375
Fragments	1
Non HAtoms	32
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	3
Amides	2
Aromatic Nitrogens	1
AcidicOxygens	2
StereoCon

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