(Z)-3-(2-bromo-4-nitroanilino)-1-(3,4-dichlorophenyl)prop-2-en-1-one

Formula:C15H9N2O3BrCl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-3-(2-bromo-4-nitroanilino)-1-(3,4-dichlorophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(Z)-3-(2-bromo-4-nitroanilino)-1-(3,4-dichlorophenyl)prop-2-en-1-one
MolecularFormula	C15H9N2O3BrCl2
Smiles	[O-][N+](c(cc1)cc(Br)c1N/C=C\C(c(cc1)cc(Cl)c1Cl)=O)=O
InChI	InChI=1S/C15H9BrCl2N2O3/c16-11-8-10(20(22)23)2-4-14(11)19-6-5-15(21)9-1-3-12(17)13(18)7-9/h1-8,19H
InChIK	BVUFUMOMVIUYOL-UHFFFAOYSA-N
TotalMolweight	416.057
Molweight	416.057
MonoisotopicMass	413.917358
CLogP	3.4901
CLogS	-6.552
H Acceptors	5
H Donors	1
TotalSurfaceArea	261.87
Relative PSA	0.20972
PolarSurfaceArea	74.92
Druglikeness	-6.2818
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
AcidicOxygens	1
StereoCon

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