2-chloroethyl 2-[[(2E)-2-(carbamothioylhydrazinylidene)-1,3-benzothiazol-3-yl]methylsulfanyl]acetate

Formula:C13H15N4O2ClS3 Mutagenic:high Tumorigenic:high Reproductive Effective:high 2-chloroethyl 2-[[(2E)-2-(carbamothioylhydrazinylidene)-1,3-benzothiazol-3-yl]methylsulfanyl]acetate is a drug-like molecule.

MolName	2-chloroethyl 2-[[(2E)-2-(carbamothioylhydrazinylidene)-1,3-benzothiazol-3-yl]methylsulfanyl]acetate
MolecularFormula	C13H15N4O2ClS3
Smiles	NC(N/N=C1/Sc(cccc2)c2N1CSCC(OCCCl)=O)=S
InChI	InChI=1S/C13H15ClN4O2S3/c14-5-6-20-11(19)7-22-8-18-9-3-1-2-4-10(9)23-13(18)17-16-12(15)21/h1-4H,5-8H2,(H3,15,16,21)
InChIK	WPGDYLOHDPHRFS-UHFFFAOYSA-N
TotalMolweight	390.939
Molweight	390.939
MonoisotopicMass	390.004563
CLogP	1.6358
CLogS	-5.73
H Acceptors	6
H Donors	2
TotalSurfaceArea	278.91
Relative PSA	0.45825
PolarSurfaceArea	162.64
Druglikeness	2.662
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	thio-amide/urea
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	8
StereoCon

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1 - 2-chloroethyl 2-[[(2E)-2-(carbamothioylhydrazinylidene)-1,3-benzothiazol-3-yl]methylsulfanyl]acetate | 2 - 2-chloroethyl 2-[[(2E)-2-(carbamothioylhydrazinylidene)-1,3-benzothiazol-3-yl]methylsulfanyl]acetate

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