N-[(Z)-1-(4-bromophenyl)-3-(2-carbamothioylhydrazinyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide

Formula:C17H14N4O2BrClS Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(Z)-1-(4-bromophenyl)-3-(2-carbamothioylhydrazinyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide is a drug-like molecule.

MolName	N-[(Z)-1-(4-bromophenyl)-3-(2-carbamothioylhydrazinyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide
MolecularFormula	C17H14N4O2BrClS
Smiles	NC(NNC(/C(/NC(c(cccc1)c1Cl)=O)=C/c(cc1)ccc1Br)=O)=S
InChI	InChI=1S/C17H14BrClN4O2S/c18-11-7-5-10(6-8-11)9-14(16(25)22-23-17(20)26)21-15(24)12-3-1-2-4-13(12)19/h1-9H,(H,21,24)(H,22,25)(H3,20,23,26)
InChIK	LBWWGGUHRVCZBT-UHFFFAOYSA-N
TotalMolweight	453.747
Molweight	453.747
MonoisotopicMass	451.970934
CLogP	2.8959
CLogS	-5.802
H Acceptors	6
H Donors	4
TotalSurfaceArea	302.89
Relative PSA	0.34247
PolarSurfaceArea	128.34
Druglikeness	2.6421
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
Amides	1
StereoCon

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