(3-chloro-4-oxochromen-7-yl) 4-tert-butylbenzoate

Formula:C20H17O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (3-chloro-4-oxochromen-7-yl) 4-tert-butylbenzoate is a drug-like molecule.

MolName	(3-chloro-4-oxochromen-7-yl) 4-tert-butylbenzoate
MolecularFormula	C20H17O4Cl
Smiles	CC(C)(C)c(cc1)ccc1C(Oc(cc1)cc(OC=C2Cl)c1C2=O)=O
InChI	InChI=1S/C20H17ClO4/c1-20(2,3)13-6-4-12(5-7-13)19(23)25-14-8-9-15-17(10-14)24-11-16(21)18(15)22/h4-11H,1-3H3
InChIK	SIXVHXZSVVQEAB-UHFFFAOYSA-N
TotalMolweight	356.804
Molweight	356.804
MonoisotopicMass	356.081537
CLogP	4.8408
CLogS	-5.979
H Acceptors	4
TotalSurfaceArea	262.34
Relative PSA	0.17565
PolarSurfaceArea	52.6
Druglikeness	-4.4384
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	2-halo-enone
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	4
StereoCon

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