1-(2,5-dichlorophenyl)-3-[(Z)-pyridin-2-ylmethylideneamino]thiourea

Formula:C13H10N4Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:high 1-(2,5-dichlorophenyl)-3-[(Z)-pyridin-2-ylmethylideneamino]thiourea is a drug-like molecule.

MolName	1-(2,5-dichlorophenyl)-3-[(Z)-pyridin-2-ylmethylideneamino]thiourea
MolecularFormula	C13H10N4Cl2S
Smiles	S=C(Nc(cc(cc1)Cl)c1Cl)N/N=C\c1ncccc1
InChI	InChI=1S/C13H10Cl2N4S/c14-9-4-5-11(15)12(7-9)18-13(20)19-17-8-10-3-1-2-6-16-10/h1-8H,(H2,18,19,20)
InChIK	IHQIBFKYOOVIKJ-UHFFFAOYSA-N
TotalMolweight	325.222
Molweight	325.222
MonoisotopicMass	324.00032
CLogP	3.8573
CLogS	-5.022
H Acceptors	4
H Donors	2
TotalSurfaceArea	243.01
Relative PSA	0.30205
PolarSurfaceArea	81.4
Druglikeness	2.2636
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.65
Fragments	1
Non HAtoms	20
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Aromatic Nitrogens	1
StereoCon

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