N-[(E)-3-(4-bromoanilino)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]-2-fluorobenzamide

Formula:C22H15N2O2Br2F Mutagenic:none Tumorigenic:high Reproductive Effective:none N-[(E)-3-(4-bromoanilino)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]-2-fluorobenzamide is not a drug-like molecule.

MolName	N-[(E)-3-(4-bromoanilino)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]-2-fluorobenzamide
MolecularFormula	C22H15N2O2Br2F
Smiles	O=C(/C(/NC(c(cccc1)c1F)=O)=C\c(cc1)ccc1Br)Nc(cc1)ccc1Br
InChI	InChI=1S/C22H15Br2FN2O2/c23-15-7-5-14(6-8-15)13-20(22(29)26-17-11-9-16(24)10-12-17)27-21(28)18-3-1-2-4-19(18)25/h1-13H,(H,26,29)(H,27,28)
InChIK	KVTCRJOYNULVAC-UHFFFAOYSA-N
TotalMolweight	518.179
Molweight	518.179
MonoisotopicMass	515.948428
CLogP	5.975
CLogS	-6.855
H Acceptors	4
H Donors	2
TotalSurfaceArea	319.52
Relative PSA	0.15336
PolarSurfaceArea	58.2
Druglikeness	-0.13733
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Symmetricatoms	4
Amides	2
StereoCon

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