1-(2,5-dichlorophenyl)-3-[(E)-2-(3-oxo-4H-quinoxalin-2-yl)ethenyl]thiourea

Formula:C17H12N4OCl2S Mutagenic:none Tumorigenic:high Reproductive Effective:high 1-(2,5-dichlorophenyl)-3-[(E)-2-(3-oxo-4H-quinoxalin-2-yl)ethenyl]thiourea is a drug-like molecule.

MolName	1-(2,5-dichlorophenyl)-3-[(E)-2-(3-oxo-4H-quinoxalin-2-yl)ethenyl]thiourea
MolecularFormula	C17H12N4OCl2S
Smiles	O=C1Nc(cccc2)c2N=C1/C=C/NC(Nc(cc(cc1)Cl)c1Cl)=S
InChI	InChI=1S/C17H12Cl2N4OS/c18-10-5-6-11(19)15(9-10)23-17(25)20-8-7-14-16(24)22-13-4-2-1-3-12(13)21-14/h1-9H,(H,22,24)(H2,20,23,25)
InChIK	CIQQRHBDZZGNCP-UHFFFAOYSA-N
TotalMolweight	391.281
Molweight	391.281
MonoisotopicMass	390.010885
CLogP	2.8
CLogS	-5.515
H Acceptors	5
H Donors	3
TotalSurfaceArea	284.67
Relative PSA	0.30537
PolarSurfaceArea	97.61
Druglikeness	2.9673
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Amides	1
StereoCon

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