(2Z)-2-[[4-(difluoromethoxy)phenyl]methylidene]-3,4-dihydronaphthalen-1-one

Formula:C18H14O2F2 Mutagenic:none Tumorigenic:none Reproductive Effective:high (2Z)-2-[[4-(difluoromethoxy)phenyl]methylidene]-3,4-dihydronaphthalen-1-one is a drug-like molecule.

MolName(2Z)-2-[[4-(difluoromethoxy)phenyl]methylidene]-3,4-dihydronaphthalen-1-one
MolecularFormulaC18H14O2F2
SmilesO=C(/C(/CC1)=C\c(cc2)ccc2OC(F)F)c2c1cccc2
InChIInChI=1S/C18H14F2O2/c19-18(20)22-15-9-5-12(6-10-15)11-14-8-7-13-3-1-2-4-16(13)17(14)21/h1-6,9-11,18H,7-8H2
InChIKACOUZXYPJJRNQU-UHFFFAOYSA-N
TotalMolweight300.303
Molweight300.303
MonoisotopicMass300.096186
CLogP4.1822
CLogS-4.905
H Acceptors2
TotalSurfaceArea224.7
Relative PSA0.10254
PolarSurfaceArea26.3
Druglikeness-2.9653
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.63636
Fragments1
Non HAtoms22
NonCHAtoms4
Electronegative Atoms4
Rotatable Bond3
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms4
Symmetricatoms3
StereoCon

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