N-[(E)-3-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide

Formula:C23H15N3O2BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-3-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide is not a drug-like molecule.

MolName	N-[(E)-3-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide
MolecularFormula	C23H15N3O2BrCl
Smiles	O=C(/C(/NC(c(cccc1)c1Cl)=O)=C\c(cc1)ccc1Br)c1nc(cccc2)c2[nH]1
InChI	InChI=1S/C23H15BrClN3O2/c24-15-11-9-14(10-12-15)13-20(28-23(30)16-5-1-2-6-17(16)25)21(29)22-26-18-7-3-4-8-19(18)27-22/h1-13H,(H,26,27)(H,28,30)
InChIK	BUHCDXDSRQDMJF-UHFFFAOYSA-N
TotalMolweight	480.748
Molweight	480.748
MonoisotopicMass	479.003615
CLogP	5.4116
CLogS	-6.28
H Acceptors	5
H Donors	2
TotalSurfaceArea	321.43
Relative PSA	0.19444
PolarSurfaceArea	74.85
Druglikeness	1.7075
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.43333
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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