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

Formula:C21H17N2O4Cl3 Mutagenic:high Tumorigenic:high Reproductive Effective:none butyl 4-[[4-chloro-1-(2,3-dichlorophenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate is a drug-like molecule.

MolName	butyl 4-[[4-chloro-1-(2,3-dichlorophenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate
MolecularFormula	C21H17N2O4Cl3
Smiles	CCCCOC(c(cc1)ccc1NC(C(N(C1=O)c2cccc(Cl)c2Cl)=O)=C1Cl)=O
InChI	InChI=1S/C21H17Cl3N2O4/c1-2-3-11-30-21(29)12-7-9-13(10-8-12)25-18-17(24)19(27)26(20(18)28)15-6-4-5-14(22)16(15)23/h4-10,25H,2-3,11H2,1H3
InChIK	PMAIOOBIQVHVCS-UHFFFAOYSA-N
TotalMolweight	467.735
Molweight	467.735
MonoisotopicMass	466.025389
CLogP	4.7648
CLogS	-6.648
H Acceptors	6
H Donors	1
TotalSurfaceArea	327.25
Relative PSA	0.19597
PolarSurfaceArea	75.71
Druglikeness	-3.2437
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	2-halo-enone; 3-halo-enone
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	2
Amides	1
StereoCon

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

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