(E)-3-naphthalen-1-yl-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one

Formula:C24H23NO Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-3-naphthalen-1-yl-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one is not a drug-like molecule.

MolName(E)-3-naphthalen-1-yl-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one
MolecularFormulaC24H23NO
SmilesO=C(/C=C/c1cccc2ccccc12)c(cc1)ccc1N1CCCCC1
InChIInChI=1S/C24H23NO/c26-24(16-13-20-9-6-8-19-7-2-3-10-23(19)20)21-11-14-22(15-12-21)25-17-4-1-5-18-25/h2-3,6-16H,1,4-5,17-18H2
InChIKQNYCXVRBWYQCTP-UHFFFAOYSA-N
TotalMolweight341.453
Molweight341.453
MonoisotopicMass341.177964
CLogP5.3312
CLogS-6.438
H Acceptors2
TotalSurfaceArea277.47
Relative PSA0.05979
PolarSurfaceArea20.31
Druglikeness1.449
Mutagenicnone
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.61538
Fragments1
Non HAtoms26
NonCHAtoms2
Electronegative Atoms2
Rotatable Bond4
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms16
Sp3Atoms5
Symmetricatoms4
Amines1
Aromatic Amines1
StereoCon

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