N'-[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]thiophene-2-carbohydrazide

Formula:C14H10N3O4ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none N'-[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]thiophene-2-carbohydrazide is a drug-like molecule.

MolName	N'-[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]thiophene-2-carbohydrazide
MolecularFormula	C14H10N3O4ClS
Smiles	[O-][N+](c(cc(/C=C/C(NNC(c1cccs1)=O)=O)cc1)c1Cl)=O
InChI	InChI=1S/C14H10ClN3O4S/c15-10-5-3-9(8-11(10)18(21)22)4-6-13(19)16-17-14(20)12-2-1-7-23-12/h1-8H,(H,16,19)(H,17,20)
InChIK	FITVCCDBWKTRGG-UHFFFAOYSA-N
TotalMolweight	351.769
Molweight	351.769
MonoisotopicMass	351.008054
CLogP	1.4978
CLogS	-4.886
H Acceptors	7
H Donors	2
TotalSurfaceArea	252.97
Relative PSA	0.39443
PolarSurfaceArea	132.26
Druglikeness	-2.2615
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
AcidicOxygens	1
StereoCon

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