N-[(Z)-3-(2-carbamothioylhydrazinyl)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide

Formula:C17H15N5O4S Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(Z)-3-(2-carbamothioylhydrazinyl)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(Z)-3-(2-carbamothioylhydrazinyl)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C17H15N5O4S
Smiles	NC(NNC(/C(/NC(c1ccccc1)=O)=C/c(cc1)ccc1[N+]([O-])=O)=O)=S
InChI	InChI=1S/C17H15N5O4S/c18-17(27)21-20-16(24)14(19-15(23)12-4-2-1-3-5-12)10-11-6-8-13(9-7-11)22(25)26/h1-10H,(H,19,23)(H,20,24)(H3,18,21,27)
InChIK	XFZLTUMMUXGLGT-UHFFFAOYSA-N
TotalMolweight	385.403
Molweight	385.403
MonoisotopicMass	385.084475
CLogP	0.6431
CLogS	-4.692
H Acceptors	9
H Donors	4
TotalSurfaceArea	292.51
Relative PSA	0.45862
PolarSurfaceArea	174.16
Druglikeness	-0.67347
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; thio-amide/urea
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon

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