(E)-2-(1H-benzimidazol-2-yl)-3-(5-thiophen-2-yl-1H-pyrazol-4-yl)prop-2-enenitrile

Formula:C17H11N5S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(1H-benzimidazol-2-yl)-3-(5-thiophen-2-yl-1H-pyrazol-4-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(1H-benzimidazol-2-yl)-3-(5-thiophen-2-yl-1H-pyrazol-4-yl)prop-2-enenitrile
MolecularFormula	C17H11N5S
Smiles	N#C/C(/c1nc(cccc2)c2[nH]1)=C\c1c(-c2cccs2)[nH]nc1
InChI	InChI=1S/C17H11N5S/c18-9-11(17-20-13-4-1-2-5-14(13)21-17)8-12-10-19-22-16(12)15-6-3-7-23-15/h1-8,10H,(H,19,22)(H,20,21)
InChIK	MCIQRNBRJOCWNA-UHFFFAOYSA-N
TotalMolweight	317.375
Molweight	317.375
MonoisotopicMass	317.073515
CLogP	2.489
CLogS	-3.396
H Acceptors	5
H Donors	2
TotalSurfaceArea	246.4
Relative PSA	0.34026
PolarSurfaceArea	109.39
Druglikeness	0.61571
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52174
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	19
Aromatic Nitrogens	4
BasicNitrogens	1
StereoCon

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