(E)-2-(1H-benzimidazol-2-yl)-3-[4-(naphthalen-2-ylmethoxy)phenyl]prop-2-enenitrile

Formula:C27H19N3O Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(1H-benzimidazol-2-yl)-3-[4-(naphthalen-2-ylmethoxy)phenyl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-(1H-benzimidazol-2-yl)-3-[4-(naphthalen-2-ylmethoxy)phenyl]prop-2-enenitrile
MolecularFormula	C27H19N3O
Smiles	N#C/C(/c1nc(cccc2)c2[nH]1)=C\c(cc1)ccc1OCc1cc2ccccc2cc1
InChI	InChI=1S/C27H19N3O/c28-17-23(27-29-25-7-3-4-8-26(25)30-27)15-19-10-13-24(14-11-19)31-18-20-9-12-21-5-1-2-6-22(21)16-20/h1-16H,18H2,(H,29,30)
InChIK	KMNZGPLDPRHHMX-UHFFFAOYSA-N
TotalMolweight	401.468
Molweight	401.468
MonoisotopicMass	401.152812
CLogP	5.3642
CLogS	-6.071
H Acceptors	4
H Donors	1
TotalSurfaceArea	320.49
Relative PSA	0.15139
PolarSurfaceArea	61.7
Druglikeness	-4.0185
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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