(E)-3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoate

Formula:C16H12O3F Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoate is a drug-like molecule.

MolName(E)-3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoate
MolecularFormulaC16H12O3F
Smiles[O-]C(/C=C/c(cc1)ccc1OCc(cccc1)c1F)=O
InChIInChI=1S/C16H13FO3/c17-15-4-2-1-3-13(15)11-20-14-8-5-12(6-9-14)7-10-16(18)19/h1-10H,11H2,(H,18,19)/p-1
InChIKQISKGXAMXJUFSG-UHFFFAOYSA-M
TotalMolweight271.266
Molweight271.266
MonoisotopicMass271.077048
CLogP0.8468
CLogS-3.654
H Acceptors3
TotalSurfaceArea214.91
Relative PSA0.17365
PolarSurfaceArea49.36
Druglikeness-2.1445
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.7
Fragments1
Non HAtoms20
NonCHAtoms4
Electronegative Atoms4
Rotatable Bond5
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms3
Symmetricatoms2
AcidicOxygens1
StereoCon

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