2-[4-[(E)-[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid

Formula:C19H13N2O6Cl Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[4-[(E)-[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid is a drug-like molecule.

MolName	2-[4-[(E)-[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid
MolecularFormula	C19H13N2O6Cl
Smiles	OC(COc1ccc(/C=C(\C(NC(N2c(cc3)ccc3Cl)=O)=O)/C2=O)cc1)=O
InChI	InChI=1S/C19H13ClN2O6/c20-12-3-5-13(6-4-12)22-18(26)15(17(25)21-19(22)27)9-11-1-7-14(8-2-11)28-10-16(23)24/h1-9H,10H2,(H,23,24)(H,21,25,27)
InChIK	DYDHOFPNGFGPBD-UHFFFAOYSA-N
TotalMolweight	400.773
Molweight	400.773
MonoisotopicMass	400.046215
CLogP	1.8214
CLogS	-4.416
H Acceptors	8
H Donors	2
TotalSurfaceArea	282.52
Relative PSA	0.31952
PolarSurfaceArea	113.01
Druglikeness	4.9283
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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