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

Formula:C22H15N3OBrF Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-1-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)ethenyl]-2-fluorobenzamide is a drug-like molecule.

MolName	N-[(E)-1-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)ethenyl]-2-fluorobenzamide
MolecularFormula	C22H15N3OBrF
Smiles	O=C(c(cccc1)c1F)N/C(/c1nc(cccc2)c2[nH]1)=C/c(cc1)ccc1Br
InChI	InChI=1S/C22H15BrFN3O/c23-15-11-9-14(10-12-15)13-20(21-25-18-7-3-4-8-19(18)26-21)27-22(28)16-5-1-2-6-17(16)24/h1-13H,(H,25,26)(H,27,28)
InChIK	SJQSXWYHCZDWHN-UHFFFAOYSA-N
TotalMolweight	436.283
Molweight	436.283
MonoisotopicMass	435.038251
CLogP	4.9308
CLogS	-5.372
H Acceptors	4
H Donors	2
TotalSurfaceArea	294.61
Relative PSA	0.16788
PolarSurfaceArea	57.78
Druglikeness	-0.90423
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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