1-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-3-[(2S)-1,1-dioxothiolan-2-yl]thiourea

Formula:C16H15N3O3Cl2S2 Mutagenic:high Tumorigenic:high Reproductive Effective:high 1-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-3-[(2S)-1,1-dioxothiolan-2-yl]thiourea is a drug-like molecule.

MolName	1-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-3-[(2S)-1,1-dioxothiolan-2-yl]thiourea
MolecularFormula	C16H15N3O3Cl2S2
Smiles	O=S(CCC1)([C@@H]1NC(N/N=C\c1ccc(-c(cc(cc2)Cl)c2Cl)o1)=S)=O
InChI	InChI=1S/C16H15Cl2N3O3S2/c17-10-3-5-13(18)12(8-10)14-6-4-11(24-14)9-19-21-16(25)20-15-2-1-7-26(15,22)23/h3-6,8-9,15H,1-2,7H2,(H2,20,21,25)/t15-/m0/s1
InChIK	RQUGZNPJTLFBRN-HNNXBMFYSA-N
TotalMolweight	432.351
Molweight	432.351
MonoisotopicMass	430.993186
CLogP	4.5373
CLogS	-6.32
H Acceptors	6
H Donors	2
TotalSurfaceArea	302.8
Relative PSA	0.34716
PolarSurfaceArea	124.17
Druglikeness	1.554
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	6
Symmetricatoms	1
StereoCon	this enantiomer

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1 - 1-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-3-[(2S)-1,1-dioxothiolan-2-yl]thiourea | 2 - 1-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-3-[(2S)-1,1-dioxothiolan-2-yl]thiourea

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