4-[(E)-3-[4-(difluoromethoxy)phenyl]-3-oxoprop-1-enyl]benzonitrile

Formula:C17H11NO2F2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(E)-3-[4-(difluoromethoxy)phenyl]-3-oxoprop-1-enyl]benzonitrile is a drug-like molecule.

MolName	4-[(E)-3-[4-(difluoromethoxy)phenyl]-3-oxoprop-1-enyl]benzonitrile
MolecularFormula	C17H11NO2F2
Smiles	N#Cc1ccc(/C=C/C(c(cc2)ccc2OC(F)F)=O)cc1
InChI	InChI=1S/C17H11F2NO2/c18-17(19)22-15-8-6-14(7-9-15)16(21)10-5-12-1-3-13(11-20)4-2-12/h1-10,17H
InChIK	BTPLJOOBQLOLJR-UHFFFAOYSA-N
TotalMolweight	299.275
Molweight	299.275
MonoisotopicMass	299.075785
CLogP	3.3088
CLogS	-5.235
H Acceptors	3
TotalSurfaceArea	234.18
Relative PSA	0.15629
PolarSurfaceArea	50.09
Druglikeness	-6.6887
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.72727
Fragments	1
Non HAtoms	22
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	5
StereoCon

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