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

Formula:C21H12N4OS Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-(1H-benzimidazol-2-yl)-3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(1H-benzimidazol-2-yl)-3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]prop-2-enenitrile
MolecularFormula	C21H12N4OS
Smiles	N#C/C(/c1nc(cccc2)c2[nH]1)=C\c1ccc(-c2nc(cccc3)c3s2)o1
InChI	InChI=1S/C21H12N4OS/c22-12-13(20-23-15-5-1-2-6-16(15)24-20)11-14-9-10-18(26-14)21-25-17-7-3-4-8-19(17)27-21/h1-11H,(H,23,24)
InChIK	YZVCFCIQLNDVML-UHFFFAOYSA-N
TotalMolweight	368.419
Molweight	368.419
MonoisotopicMass	368.073181
CLogP	3.9336
CLogS	-4.059
H Acceptors	5
H Donors	1
TotalSurfaceArea	281.12
Relative PSA	0.29866
PolarSurfaceArea	106.74
Druglikeness	-1.4489
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	23
Aromatic Nitrogens	3
BasicNitrogens	1
StereoCon

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