N'-[(2R)-2-cyano-3-(4-nitrophenyl)-3-oxopropanoyl]thiophene-2-carbohydrazide

Formula:C15H10N4O5S Mutagenic:none Tumorigenic:none Reproductive Effective:high N'-[(2R)-2-cyano-3-(4-nitrophenyl)-3-oxopropanoyl]thiophene-2-carbohydrazide is a drug-like molecule.

MolName	N'-[(2R)-2-cyano-3-(4-nitrophenyl)-3-oxopropanoyl]thiophene-2-carbohydrazide
MolecularFormula	C15H10N4O5S
Smiles	N#C[C@H](C(c(cc1)ccc1[N+]([O-])=O)=O)C(NNC(c1cccs1)=O)=O
InChI	InChI=1S/C15H10N4O5S/c16-8-11(13(20)9-3-5-10(6-4-9)19(23)24)14(21)17-18-15(22)12-2-1-7-25-12/h1-7,11H,(H,17,21)(H,18,22)/t11-/m1/s1
InChIK	JADVOBZPHMAZIS-LLVKDONJSA-N
TotalMolweight	358.333
Molweight	358.333
MonoisotopicMass	358.037191
CLogP	-0.4093
CLogS	-4.504
H Acceptors	9
H Donors	2
TotalSurfaceArea	263.01
Relative PSA	0.48051
PolarSurfaceArea	173.12
Druglikeness	-4.0355
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
AcidicOxygens	1
StereoCon	this enantiomer

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