(Z)-2-(1H-benzimidazol-2-yl)-3-(5-bromo-2-prop-2-ynoxyphenyl)prop-2-enenitrile

Formula:C19H12N3OBr Mutagenic:high Tumorigenic:none Reproductive Effective:none (Z)-2-(1H-benzimidazol-2-yl)-3-(5-bromo-2-prop-2-ynoxyphenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(Z)-2-(1H-benzimidazol-2-yl)-3-(5-bromo-2-prop-2-ynoxyphenyl)prop-2-enenitrile
MolecularFormula	C19H12N3OBr
Smiles	C#CCOc(cc1)c(/C=C(\c2nc(cccc3)c3[nH]2)/C#N)cc1Br
InChI	InChI=1S/C19H12BrN3O/c1-2-9-24-18-8-7-15(20)11-13(18)10-14(12-21)19-22-16-5-3-4-6-17(16)23-19/h1,3-8,10-11H,9H2,(H,22,23)
InChIK	CCHAYOAXLTWTEY-UHFFFAOYSA-N
TotalMolweight	378.228
Molweight	378.228
MonoisotopicMass	377.016373
CLogP	3.5041
CLogS	-4.6
H Acceptors	4
H Donors	1
TotalSurfaceArea	268.57
Relative PSA	0.18066
PolarSurfaceArea	61.7
Druglikeness	-5.7218
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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