(4S)-2-amino-4-[4-[(2-chlorophenyl)methoxy]phenyl]-7-hydroxy-4H-chromene-3-carbonitrile

Formula:C23H17N2O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (4S)-2-amino-4-[4-[(2-chlorophenyl)methoxy]phenyl]-7-hydroxy-4H-chromene-3-carbonitrile is a drug-like molecule.

MolName	(4S)-2-amino-4-[4-[(2-chlorophenyl)methoxy]phenyl]-7-hydroxy-4H-chromene-3-carbonitrile
MolecularFormula	C23H17N2O3Cl
Smiles	NC(Oc1c([C@@H]2c(cc3)ccc3OCc(cccc3)c3Cl)ccc(O)c1)=C2C#N
InChI	InChI=1S/C23H17ClN2O3/c24-20-4-2-1-3-15(20)13-28-17-8-5-14(6-9-17)22-18-10-7-16(27)11-21(18)29-23(26)19(22)12-25/h1-11,22,27H,13,26H2/t22-/m0/s1
InChIK	XVDAOWTUIYTTAE-QFIPXVFZSA-N
TotalMolweight	404.852
Molweight	404.852
MonoisotopicMass	404.09277
CLogP	3.9902
CLogS	-6.746
H Acceptors	5
H Donors	2
TotalSurfaceArea	300.46
Relative PSA	0.20612
PolarSurfaceArea	88.5
Druglikeness	-5.1482
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	2
BasicNitrogens	1
StereoCon	this enantiomer

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