[(E)-(3-chlorophenyl)methylideneamino]thiourea

Formula:C8H8N3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none [(E)-(3-chlorophenyl)methylideneamino]thiourea is a drug-like molecule.

MolName	[(E)-(3-chlorophenyl)methylideneamino]thiourea
MolecularFormula	C8H8N3ClS
Smiles	NC(N/N=C/c1cccc(Cl)c1)=S
InChI	InChI=1S/C8H8ClN3S/c9-7-3-1-2-6(4-7)5-11-12-8(10)13/h1-5H,(H3,10,12,13)
InChIK	IPKPBBJJLUBSAV-UHFFFAOYSA-N
TotalMolweight	213.692
Molweight	213.692
MonoisotopicMass	213.012744
CLogP	2.138
CLogS	-3.634
H Acceptors	3
H Donors	2
TotalSurfaceArea	166.13
Relative PSA	0.39872
PolarSurfaceArea	82.5
Druglikeness	2.3
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.69231
Fragments	1
Non HAtoms	13
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	1
StereoCon

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