4-amino-3-(4-chloroanilino)-6-[(E)-2-thiophen-2-ylethenyl]-1,2,4-triazin-5-one

Formula:C15H12N5OClS Mutagenic:high Tumorigenic:high Reproductive Effective:low 4-amino-3-(4-chloroanilino)-6-[(E)-2-thiophen-2-ylethenyl]-1,2,4-triazin-5-one is a drug-like molecule.

MolName	4-amino-3-(4-chloroanilino)-6-[(E)-2-thiophen-2-ylethenyl]-1,2,4-triazin-5-one
MolecularFormula	C15H12N5OClS
Smiles	NN1C(Nc(cc2)ccc2Cl)=NN=C(/C=C/c2cccs2)C1=O
InChI	InChI=1S/C15H12ClN5OS/c16-10-3-5-11(6-4-10)18-15-20-19-13(14(22)21(15)17)8-7-12-2-1-9-23-12/h1-9H,17H2,(H,18,20)
InChIK	IJOHTGNPNHYXAC-UHFFFAOYSA-N
TotalMolweight	345.813
Molweight	345.813
MonoisotopicMass	345.045107
CLogP	3.0244
CLogS	-5.265
H Acceptors	6
H Donors	2
TotalSurfaceArea	251.35
Relative PSA	0.34494
PolarSurfaceArea	111.32
Druglikeness	4.2955
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	2
BasicNitrogens	1
StereoCon

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