4-[[2,6-dichloro-4-[(Z)-(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]phenoxy]methyl]benzoic acid

Formula:C25H16N2O6Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-[[2,6-dichloro-4-[(Z)-(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]phenoxy]methyl]benzoic acid is not a drug-like molecule.

MolName	4-[[2,6-dichloro-4-[(Z)-(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]phenoxy]methyl]benzoic acid
MolecularFormula	C25H16N2O6Cl2
Smiles	OC(c1ccc(COc(c(Cl)cc(/C=C(/C(NC(N2c3ccccc3)=O)=O)\C2=O)c2)c2Cl)cc1)=O
InChI	InChI=1S/C25H16Cl2N2O6/c26-19-11-15(12-20(27)21(19)35-13-14-6-8-16(9-7-14)24(32)33)10-18-22(30)28-25(34)29(23(18)31)17-4-2-1-3-5-17/h1-12H,13H2,(H,32,33)(H,28,30,34)
InChIK	NQGZKFODXWQMOB-UHFFFAOYSA-N
TotalMolweight	511.316
Molweight	511.316
MonoisotopicMass	510.038542
CLogP	4.2006
CLogS	-6.713
H Acceptors	8
H Donors	2
TotalSurfaceArea	357.7
Relative PSA	0.25236
PolarSurfaceArea	113.01
Druglikeness	4.558
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.57143
Fragments	1
Non HAtoms	35
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	7
Amides	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 4-[[2,6-dichloro-4-[(Z)-(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]phenoxy]methyl]benzoic acid | 2 - 4-[[2,6-dichloro-4-[(Z)-(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]phenoxy]methyl]benzoic acid

Request More Details | 4-[[2,6-dichloro-4-[(Z)-(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]phenoxy]methyl]benzoic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments