N-[(3R)-4-[2-(3,5-dinitrophenyl)hydrazinyl]-2,3-dihydrothiophen-3-yl]benzamide

Formula:C17H15N5O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(3R)-4-[2-(3,5-dinitrophenyl)hydrazinyl]-2,3-dihydrothiophen-3-yl]benzamide is a drug-like molecule.

MolName	N-[(3R)-4-[2-(3,5-dinitrophenyl)hydrazinyl]-2,3-dihydrothiophen-3-yl]benzamide
MolecularFormula	C17H15N5O5S
Smiles	[O-][N+](c1cc(NNC2=CSC[C@@H]2NC(c2ccccc2)=O)cc([N+]([O-])=O)c1)=O
InChI	InChI=1S/C17H15N5O5S/c23-17(11-4-2-1-3-5-11)18-15-9-28-10-16(15)20-19-12-6-13(21(24)25)8-14(7-12)22(26)27/h1-8,10,15,19-20H,9H2,(H,18,23)/t15-/m1/s1
InChIK	XEPZRGKXCPAVFW-OAHLLOKOSA-N
TotalMolweight	401.402
Molweight	401.402
MonoisotopicMass	401.07939
CLogP	1.423
CLogS	-4.628
H Acceptors	10
H Donors	3
TotalSurfaceArea	287.45
Relative PSA	0.43747
PolarSurfaceArea	170.1
Druglikeness	-1.9201
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	11
Electronegative Atoms	11
StereoCenters	1
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	7
Amides	1
AcidicOxygens	2
StereoCon	this enantiomer

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