(E)-1-(4-aminophenyl)-3-(furan-2-yl)prop-2-en-1-one

Formula:C13H11NO2 Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-1-(4-aminophenyl)-3-(furan-2-yl)prop-2-en-1-one is a drug-like molecule.

MolName(E)-1-(4-aminophenyl)-3-(furan-2-yl)prop-2-en-1-one
MolecularFormulaC13H11NO2
SmilesNc(cc1)ccc1C(/C=C/c1ccco1)=O
InChIInChI=1S/C13H11NO2/c14-11-5-3-10(4-6-11)13(15)8-7-12-2-1-9-16-12/h1-9H,14H2
InChIKRAJXSKUOVLPIKF-UHFFFAOYSA-N
TotalMolweight213.235
Molweight213.235
MonoisotopicMass213.078979
CLogP1.8152
CLogS-3.598
H Acceptors3
H Donors1
TotalSurfaceArea175.48
Relative PSA0.24174
PolarSurfaceArea56.23
Druglikeness0.4782
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.6875
Fragments1
Non HAtoms16
NonCHAtoms3
Electronegative Atoms3
Rotatable Bond3
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms11
Symmetricatoms2
Amines1
Aromatic Amines1
StereoCon

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