N-[(Z)-3-hydrazinyl-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide

Formula:C14H12N4O4S Mutagenic:none Tumorigenic:high Reproductive Effective:none N-[(Z)-3-hydrazinyl-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide is a drug-like molecule.

MolName	N-[(Z)-3-hydrazinyl-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
MolecularFormula	C14H12N4O4S
Smiles	NNC(/C(/NC(c1cccs1)=O)=C/c1cc([N+]([O-])=O)ccc1)=O
InChI	InChI=1S/C14H12N4O4S/c15-17-13(19)11(16-14(20)12-5-2-6-23-12)8-9-3-1-4-10(7-9)18(21)22/h1-8H,15H2,(H,16,20)(H,17,19)
InChIK	BSLILQRRYBPWOQ-UHFFFAOYSA-N
TotalMolweight	332.339
Molweight	332.339
MonoisotopicMass	332.057926
CLogP	0.5445
CLogS	-4.197
H Acceptors	8
H Donors	3
TotalSurfaceArea	244.28
Relative PSA	0.47098
PolarSurfaceArea	158.28
Druglikeness	-6.1447
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; hydrazine
Shape Index	0.52174
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	2
Amides	1
AcidicOxygens	1
StereoCon

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