(E)-3-(furan-2-yl)-2-naphthalen-2-ylprop-2-enenitrile

Formula:C17H11NO Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-3-(furan-2-yl)-2-naphthalen-2-ylprop-2-enenitrile is a drug-like molecule.

MolName(E)-3-(furan-2-yl)-2-naphthalen-2-ylprop-2-enenitrile
MolecularFormulaC17H11NO
SmilesN#C/C(/c1cc2ccccc2cc1)=C/c1ccco1
InChIInChI=1S/C17H11NO/c18-12-16(11-17-6-3-9-19-17)15-8-7-13-4-1-2-5-14(13)10-15/h1-11H
InChIKUKUJUDFLVUIRJV-UHFFFAOYSA-N
TotalMolweight245.28
Molweight245.28
MonoisotopicMass245.084064
CLogP3.7157
CLogS-4.917
H Acceptors2
TotalSurfaceArea203.73
Relative PSA0.13582
PolarSurfaceArea36.93
Druglikeness-5.1812
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.57895
Fragments1
Non HAtoms19
NonCHAtoms2
Electronegative Atoms2
Rotatable Bond2
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms15
StereoCon

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