2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2,6-dichlorophenyl)quinazolin-4-one

Formula:C23H14N2O3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2,6-dichlorophenyl)quinazolin-4-one is not a drug-like molecule.

MolName	2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2,6-dichlorophenyl)quinazolin-4-one
MolecularFormula	C23H14N2O3Cl2
Smiles	O=C(c(cccc1)c1N=C1/C=C/c(cc2)cc3c2OCO3)N1c(c(Cl)ccc1)c1Cl
InChI	InChI=1S/C23H14Cl2N2O3/c24-16-5-3-6-17(25)22(16)27-21(26-18-7-2-1-4-15(18)23(27)28)11-9-14-8-10-19-20(12-14)30-13-29-19/h1-12H,13H2
InChIK	NTSKSMCDKKZDSQ-UHFFFAOYSA-N
TotalMolweight	437.281
Molweight	437.281
MonoisotopicMass	436.038147
CLogP	5.6335
CLogS	-7.241
H Acceptors	5
TotalSurfaceArea	307.9
Relative PSA	0.15622
PolarSurfaceArea	51.13
Druglikeness	1.7496
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	low
Nasty Functions
Shape Index	0.43333
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	3
Amides	1
StereoCon

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1 - 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2,6-dichlorophenyl)quinazolin-4-one | 2 - 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2,6-dichlorophenyl)quinazolin-4-one

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