N-[4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]phenyl]-4-fluorobenzamide

Formula:C22H15N2O2F Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]phenyl]-4-fluorobenzamide is not a drug-like molecule.

MolName	N-[4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]phenyl]-4-fluorobenzamide
MolecularFormula	C22H15N2O2F
Smiles	O=C(c(cc1)ccc1F)Nc1ccc(/C=C/c2nc(cccc3)c3o2)cc1
InChI	InChI=1S/C22H15FN2O2/c23-17-10-8-16(9-11-17)22(26)24-18-12-5-15(6-13-18)7-14-21-25-19-3-1-2-4-20(19)27-21/h1-14H,(H,24,26)
InChIK	LIPZVCMMXVVMIA-UHFFFAOYSA-N
TotalMolweight	358.371
Molweight	358.371
MonoisotopicMass	358.111756
CLogP	5.0162
CLogS	-5.707
H Acceptors	4
H Donors	1
TotalSurfaceArea	277.89
Relative PSA	0.17842
PolarSurfaceArea	55.13
Druglikeness	-0.17949
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	27
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	1
StereoCon

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