2-(4-tert-butylphenyl)-3-[(4-fluorophenyl)methoxy]-6-methylchromen-4-one

Formula:C27H25O3F Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(4-tert-butylphenyl)-3-[(4-fluorophenyl)methoxy]-6-methylchromen-4-one is not a drug-like molecule.

MolName	2-(4-tert-butylphenyl)-3-[(4-fluorophenyl)methoxy]-6-methylchromen-4-one
MolecularFormula	C27H25O3F
Smiles	CC(C)(C)c(cc1)ccc1C(Oc(ccc(C)c1)c1C1=O)=C1OCc(cc1)ccc1F
InChI	InChI=1S/C27H25FO3/c1-17-5-14-23-22(15-17)24(29)26(30-16-18-6-12-21(28)13-7-18)25(31-23)19-8-10-20(11-9-19)27(2,3)4/h5-15H,16H2,1-4H3
InChIK	BNXAJCSFYMARHI-UHFFFAOYSA-N
TotalMolweight	416.49
Molweight	416.49
MonoisotopicMass	416.178773
CLogP	6.7456
CLogS	-6.944
H Acceptors	3
TotalSurfaceArea	319.51
Relative PSA	0.10341
PolarSurfaceArea	35.53
Druglikeness	-4.8355
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	8
Symmetricatoms	6
StereoCon

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