(E)-2-(1H-benzimidazol-2-yl)-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]prop-2-enenitrile

Formula:C31H21N5 Mutagenic:high Tumorigenic:low Reproductive Effective:none (E)-2-(1H-benzimidazol-2-yl)-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-(1H-benzimidazol-2-yl)-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]prop-2-enenitrile
MolecularFormula	C31H21N5
Smiles	N#C/C(/c1nc(cccc2)c2[nH]1)=C\c(cc1)ccc1-n(c(-c1ccccc1)c1)nc1-c1ccccc1
InChI	InChI=1S/C31H21N5/c32-21-25(31-33-27-13-7-8-14-28(27)34-31)19-22-15-17-26(18-16-22)36-30(24-11-5-2-6-12-24)20-29(35-36)23-9-3-1-4-10-23/h1-20H,(H,33,34)
InChIK	CHIOHIPGXPBSDV-UHFFFAOYSA-N
TotalMolweight	463.543
Molweight	463.543
MonoisotopicMass	463.179695
CLogP	5.4909
CLogS	-6.415
H Acceptors	5
H Donors	1
TotalSurfaceArea	369.61
Relative PSA	0.15249
PolarSurfaceArea	70.29
Druglikeness	-1.2668
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	36
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	32
Symmetricatoms	6
Aromatic Nitrogens	4
BasicNitrogens	1
StereoCon

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