(Z)-2-(1H-benzimidazol-2-yl)-3-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]prop-2-enenitrile

Formula:C20H11N3OBrClS Mutagenic:high Tumorigenic:none Reproductive Effective:none (Z)-2-(1H-benzimidazol-2-yl)-3-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(Z)-2-(1H-benzimidazol-2-yl)-3-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]prop-2-enenitrile
MolecularFormula	C20H11N3OBrClS
Smiles	N#C/C(/c1nc(cccc2)c2[nH]1)=C/c(o1)cc(Br)c1Sc(cc1)ccc1Cl
InChI	InChI=1S/C20H11BrClN3OS/c21-16-10-14(26-20(16)27-15-7-5-13(22)6-8-15)9-12(11-23)19-24-17-3-1-2-4-18(17)25-19/h1-10H,(H,24,25)
InChIK	VANQQWDOSPWJAP-UHFFFAOYSA-N
TotalMolweight	456.75
Molweight	456.75
MonoisotopicMass	454.94947
CLogP	5.2601
CLogS	-5.925
H Acceptors	4
H Donors	1
TotalSurfaceArea	303.36
Relative PSA	0.23114
PolarSurfaceArea	90.91
Druglikeness	-8.6109
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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