[2-(4-tert-butylphenyl)-6-methyl-4-oxochromen-3-yl] pyridine-4-carboxylate

Formula:C26H23NO4 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(4-tert-butylphenyl)-6-methyl-4-oxochromen-3-yl] pyridine-4-carboxylate is not a drug-like molecule.

MolName	[2-(4-tert-butylphenyl)-6-methyl-4-oxochromen-3-yl] pyridine-4-carboxylate
MolecularFormula	C26H23NO4
Smiles	CC(C)(C)c(cc1)ccc1C(Oc(ccc(C)c1)c1C1=O)=C1OC(c1ccncc1)=O
InChI	InChI=1S/C26H23NO4/c1-16-5-10-21-20(15-16)22(28)24(31-25(29)18-11-13-27-14-12-18)23(30-21)17-6-8-19(9-7-17)26(2,3)4/h5-15H,1-4H3
InChIK	INHZFJZVECJNLQ-UHFFFAOYSA-N
TotalMolweight	413.472
Molweight	413.472
MonoisotopicMass	413.162709
CLogP	5.7263
CLogS	-5.964
H Acceptors	5
TotalSurfaceArea	315.91
Relative PSA	0.18059
PolarSurfaceArea	65.49
Druglikeness	-3.2335
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.45161
Fragments	1
Non HAtoms	31
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	7
Symmetricatoms	6
Aromatic Nitrogens	1
StereoCon

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