(E)-2-(1H-benzimidazol-2-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enenitrile

Formula:C23H15N5S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(1H-benzimidazol-2-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(1H-benzimidazol-2-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enenitrile
MolecularFormula	C23H15N5S
Smiles	N#C/C(/c1nc(cccc2)c2[nH]1)=C\c1cn(-c2ccccc2)nc1-c1cccs1
InChI	InChI=1S/C23H15N5S/c24-14-16(23-25-19-9-4-5-10-20(19)26-23)13-17-15-28(18-7-2-1-3-8-18)27-22(17)21-11-6-12-29-21/h1-13,15H,(H,25,26)
InChIK	KZUSDQBZRIHLBL-UHFFFAOYSA-N
TotalMolweight	393.473
Molweight	393.473
MonoisotopicMass	393.104815
CLogP	3.7642
CLogS	-4.558
H Acceptors	5
H Donors	1
TotalSurfaceArea	305.79
Relative PSA	0.25089
PolarSurfaceArea	98.53
Druglikeness	0.28924
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Symmetricatoms	2
Aromatic Nitrogens	4
BasicNitrogens	1
StereoCon

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