2-amino-6-benzylsulfanyl-4-[5-(2-nitrophenyl)furan-2-yl]pyridin-1-ium-3,5-dicarbonitrile

Formula:C24H16N5O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-amino-6-benzylsulfanyl-4-[5-(2-nitrophenyl)furan-2-yl]pyridin-1-ium-3,5-dicarbonitrile is a drug-like molecule.

MolName	2-amino-6-benzylsulfanyl-4-[5-(2-nitrophenyl)furan-2-yl]pyridin-1-ium-3,5-dicarbonitrile
MolecularFormula	C24H16N5O3S
Smiles	Nc([nH+]c(c(C#N)c1-c2ccc(-c(cccc3)c3[N+]([O-])=O)o2)SCc2ccccc2)c1C#N
InChI	InChI=1S/C24H15N5O3S/c25-12-17-22(21-11-10-20(32-21)16-8-4-5-9-19(16)29(30)31)18(13-26)24(28-23(17)27)33-14-15-6-2-1-3-7-15/h1-11H,14H2,(H2,27,28)/p+1
InChIK	BVSJBLYEIRHIIY-UHFFFAOYSA-O
TotalMolweight	454.489
Molweight	454.489
MonoisotopicMass	454.097385
CLogP	3.417
CLogS	-8.834
H Acceptors	8
H Donors	2
TotalSurfaceArea	336.88
Relative PSA	0.30993
PolarSurfaceArea	172
Druglikeness	-8.2025
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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