(Z)-1-(5-chloro-2-difluoroboranyloxyphenyl)-3-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-en-1-one

Formula:C20H19NO2BClF2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-1-(5-chloro-2-difluoroboranyloxyphenyl)-3-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(Z)-1-(5-chloro-2-difluoroboranyloxyphenyl)-3-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-en-1-one
MolecularFormula	C20H19NO2BClF2
Smiles	CCN(CCC1)c2c1cc(/C=C\C(c(cc(cc1)Cl)c1OB(F)F)=O)cc2
InChI	InChI=1S/C20H19BClF2NO2/c1-2-25-11-3-4-15-12-14(5-8-18(15)25)6-9-19(26)17-13-16(22)7-10-20(17)27-21(23)24/h5-10,12-13H,2-4,11H2,1H3
InChIK	HWOHUMPUXLBFMF-UHFFFAOYSA-N
TotalMolweight	389.636
Molweight	389.636
MonoisotopicMass	389.116542
CLogP	4.4503
CLogS	-6.199
H Acceptors	3
TotalSurfaceArea	294.09
Relative PSA	0.090415
PolarSurfaceArea	29.54
Druglikeness	-3.5532
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions	unwanted atom
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	1
Amines	1
Aromatic Amines	1
StereoCon

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