N-[(E)-2-(3-bromophenyl)-1-(6-chloro-1H-benzimidazol-2-yl)ethenyl]benzamide

Formula:C22H15N3OBrCl Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-2-(3-bromophenyl)-1-(6-chloro-1H-benzimidazol-2-yl)ethenyl]benzamide is not a drug-like molecule.

MolName	N-[(E)-2-(3-bromophenyl)-1-(6-chloro-1H-benzimidazol-2-yl)ethenyl]benzamide
MolecularFormula	C22H15N3OBrCl
Smiles	O=C(c1ccccc1)N/C(/c1nc(ccc(Cl)c2)c2[nH]1)=C/c1cccc(Br)c1
InChI	InChI=1S/C22H15BrClN3O/c23-16-8-4-5-14(11-16)12-20(27-22(28)15-6-2-1-3-7-15)21-25-18-10-9-17(24)13-19(18)26-21/h1-13H,(H,25,26)(H,27,28)
InChIK	CBFLFPFVVYTLEA-UHFFFAOYSA-N
TotalMolweight	452.738
Molweight	452.738
MonoisotopicMass	451.0087
CLogP	5.436
CLogS	-5.794
H Acceptors	4
H Donors	2
TotalSurfaceArea	303.68
Relative PSA	0.16287
PolarSurfaceArea	57.78
Druglikeness	0.4964
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46429
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
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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