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

Formula:C19H12N2O6BrCl Mutagenic:high Tumorigenic:none Reproductive Effective:high 2-[4-bromo-2-[(Z)-[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid is a drug-like molecule.

MolName	2-[4-bromo-2-[(Z)-[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid
MolecularFormula	C19H12N2O6BrCl
Smiles	OC(COc(cc1)c(/C=C(/C(NC(N2c(cc3)ccc3Cl)=O)=O)\C2=O)cc1Br)=O
InChI	InChI=1S/C19H12BrClN2O6/c20-11-1-6-15(29-9-16(24)25)10(7-11)8-14-17(26)22-19(28)23(18(14)27)13-4-2-12(21)3-5-13/h1-8H,9H2,(H,24,25)(H,22,26,28)
InChIK	VSCNSPALIZXJQW-UHFFFAOYSA-N
TotalMolweight	479.669
Molweight	479.669
MonoisotopicMass	477.956726
CLogP	2.5466
CLogS	-5.25
H Acceptors	8
H Donors	2
TotalSurfaceArea	301.15
Relative PSA	0.29975
PolarSurfaceArea	113.01
Druglikeness	3.1383
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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