(E)-2-(1H-benzimidazol-2-yl)-3-(1-prop-2-ynylindol-3-yl)prop-2-enenitrile

Formula:C21H14N4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(1H-benzimidazol-2-yl)-3-(1-prop-2-ynylindol-3-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(1H-benzimidazol-2-yl)-3-(1-prop-2-ynylindol-3-yl)prop-2-enenitrile
MolecularFormula	C21H14N4
Smiles	C#CCn1c(cccc2)c2c(/C=C(/c2nc(cccc3)c3[nH]2)\C#N)c1
InChI	InChI=1S/C21H14N4/c1-2-11-25-14-16(17-7-3-6-10-20(17)25)12-15(13-22)21-23-18-8-4-5-9-19(18)24-21/h1,3-10,12,14H,11H2,(H,23,24)
InChIK	LSHOHCYCXMKAPV-UHFFFAOYSA-N
TotalMolweight	322.37
Molweight	322.37
MonoisotopicMass	322.121846
CLogP	2.8708
CLogS	-3.641
H Acceptors	4
H Donors	1
TotalSurfaceArea	263.74
Relative PSA	0.1721
PolarSurfaceArea	57.4
Druglikeness	-1.7742
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	18
Sp3Atoms	1
Aromatic Nitrogens	3
BasicNitrogens	1
StereoCon

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