3-[4-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl]propanoic acid

Formula:C13H10N4O3Cl2S Mutagenic:high Tumorigenic:none Reproductive Effective:high 3-[4-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl]propanoic acid is a drug-like molecule.

MolName	3-[4-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl]propanoic acid
MolecularFormula	C13H10N4O3Cl2S
Smiles	OC(CCC(C(N1/N=C\c(ccc(Cl)c2)c2Cl)=O)=NNC1=S)=O
InChI	InChI=1S/C13H10Cl2N4O3S/c14-8-2-1-7(9(15)5-8)6-16-19-12(22)10(3-4-11(20)21)17-18-13(19)23/h1-2,5-6H,3-4H2,(H,18,23)(H,20,21)
InChIK	HLOYHHJAINEURT-UHFFFAOYSA-N
TotalMolweight	373.219
Molweight	373.219
MonoisotopicMass	371.985065
CLogP	2.3546
CLogS	-4.69
H Acceptors	7
H Donors	2
TotalSurfaceArea	262.17
Relative PSA	0.4013
PolarSurfaceArea	126.45
Druglikeness	4.2564
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	4
AcidicOxygens	1
StereoCon

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1 - 3-[4-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl]propanoic acid | 2 - 3-[4-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl]propanoic acid

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