N-[(E)-1-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)ethenyl]-3-bromobenzamide

Formula:C22H15N3OBr2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-1-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)ethenyl]-3-bromobenzamide is not a drug-like molecule.

MolName	N-[(E)-1-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)ethenyl]-3-bromobenzamide
MolecularFormula	C22H15N3OBr2
Smiles	O=C(c1cccc(Br)c1)N/C(/c1nc(cccc2)c2[nH]1)=C/c(cc1)ccc1Br
InChI	InChI=1S/C22H15Br2N3O/c23-16-10-8-14(9-11-16)12-20(21-25-18-6-1-2-7-19(18)26-21)27-22(28)15-4-3-5-17(24)13-15/h1-13H,(H,25,26)(H,27,28)
InChIK	YGWMPUSKQGUOHK-UHFFFAOYSA-N
TotalMolweight	497.189
Molweight	497.189
MonoisotopicMass	494.958184
CLogP	5.5552
CLogS	-5.892
H Acceptors	4
H Donors	2
TotalSurfaceArea	306.89
Relative PSA	0.16117
PolarSurfaceArea	57.78
Druglikeness	0.43577
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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