(E)-2-(1H-benzimidazol-2-yl)-3-[5-(2-bromophenyl)furan-2-yl]prop-2-enenitrile

Formula:C20H12N3OBr Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-(1H-benzimidazol-2-yl)-3-[5-(2-bromophenyl)furan-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(1H-benzimidazol-2-yl)-3-[5-(2-bromophenyl)furan-2-yl]prop-2-enenitrile
MolecularFormula	C20H12N3OBr
Smiles	N#C/C(/c1nc(cccc2)c2[nH]1)=C\c1ccc(-c(cccc2)c2Br)o1
InChI	InChI=1S/C20H12BrN3O/c21-16-6-2-1-5-15(16)19-10-9-14(25-19)11-13(12-22)20-23-17-7-3-4-8-18(17)24-20/h1-11H,(H,23,24)
InChIK	CLJSXPYRCNLHGK-UHFFFAOYSA-N
TotalMolweight	390.239
Molweight	390.239
MonoisotopicMass	389.016373
CLogP	4.4858
CLogS	-5.418
H Acceptors	4
H Donors	1
TotalSurfaceArea	270.45
Relative PSA	0.1946
PolarSurfaceArea	65.61
Druglikeness	-4.3575
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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