(2-ethoxyphenyl) 4-[[4-chloro-1-(2,4-dichlorophenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate

Formula:C25H17N2O5Cl3 Mutagenic:high Tumorigenic:high Reproductive Effective:none (2-ethoxyphenyl) 4-[[4-chloro-1-(2,4-dichlorophenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate is not a drug-like molecule.

MolName	(2-ethoxyphenyl) 4-[[4-chloro-1-(2,4-dichlorophenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate
MolecularFormula	C25H17N2O5Cl3
Smiles	CCOc(cccc1)c1OC(c(cc1)ccc1NC(C(N(C1=O)c(ccc(Cl)c2)c2Cl)=O)=C1Cl)=O
InChI	InChI=1S/C25H17Cl3N2O5/c1-2-34-19-5-3-4-6-20(19)35-25(33)14-7-10-16(11-8-14)29-22-21(28)23(31)30(24(22)32)18-12-9-15(26)13-17(18)27/h3-13,29H,2H2,1H3
InChIK	KUUAWRCEXZZJET-UHFFFAOYSA-N
TotalMolweight	531.778
Molweight	531.778
MonoisotopicMass	530.020304
CLogP	5.3035
CLogS	-7.455
H Acceptors	7
H Donors	1
TotalSurfaceArea	369.49
Relative PSA	0.20063
PolarSurfaceArea	84.94
Druglikeness	0.3285
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Nasty Functions	2-halo-enone; 3-halo-enone
Shape Index	0.57143
Fragments	1
Non HAtoms	35
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	2
Amides	1
StereoCon

Click to Load Molecule:

1 - (2-ethoxyphenyl) 4-[[4-chloro-1-(2,4-dichlorophenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate | 2 - (2-ethoxyphenyl) 4-[[4-chloro-1-(2,4-dichlorophenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate

Request More Details | (2-ethoxyphenyl) 4-[[4-chloro-1-(2,4-dichlorophenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments