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

Formula:C13H11N4O3ClS Mutagenic:high Tumorigenic:none Reproductive Effective:high 3-[4-[(Z)-(4-chlorophenyl)methylideneamino]-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl]propanoic acid is a drug-like molecule.

MolName	3-[4-[(Z)-(4-chlorophenyl)methylideneamino]-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl]propanoic acid
MolecularFormula	C13H11N4O3ClS
Smiles	OC(CCC(C(N1/N=C\c(cc2)ccc2Cl)=O)=NNC1=S)=O
InChI	InChI=1S/C13H11ClN4O3S/c14-9-3-1-8(2-4-9)7-15-18-12(21)10(5-6-11(19)20)16-17-13(18)22/h1-4,7H,5-6H2,(H,17,22)(H,19,20)
InChIK	MCMMFPUGPKFFPR-UHFFFAOYSA-N
TotalMolweight	338.774
Molweight	338.774
MonoisotopicMass	338.024038
CLogP	1.7486
CLogS	-3.954
H Acceptors	7
H Donors	2
TotalSurfaceArea	246.75
Relative PSA	0.42638
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	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	4
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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