2-[(E)-2-(1-benzylindol-3-yl)ethenyl]-3-(2,4-dichlorophenyl)-6-iodoquinazolin-4-one

Formula:C31H20N3OCl2I Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-2-(1-benzylindol-3-yl)ethenyl]-3-(2,4-dichlorophenyl)-6-iodoquinazolin-4-one is not a drug-like molecule.

MolName	2-[(E)-2-(1-benzylindol-3-yl)ethenyl]-3-(2,4-dichlorophenyl)-6-iodoquinazolin-4-one
MolecularFormula	C31H20N3OCl2I
Smiles	O=C(c(cc(cc1)I)c1N=C1/C=C/c2cn(Cc3ccccc3)c3c2cccc3)N1c(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C31H20Cl2IN3O/c32-22-11-14-29(26(33)16-22)37-30(35-27-13-12-23(34)17-25(27)31(37)38)15-10-21-19-36(18-20-6-2-1-3-7-20)28-9-5-4-8-24(21)28/h1-17,19H,18H2
InChIK	JMJXGRPPXSXBTQ-UHFFFAOYSA-N
TotalMolweight	648.326
Molweight	648.326
MonoisotopicMass	647.002814
CLogP	7.4889
CLogS	-8.524
H Acceptors	4
TotalSurfaceArea	411.24
Relative PSA	0.085036
PolarSurfaceArea	37.6
Druglikeness	3.6797
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.44737
Fragments	1
Non HAtoms	38
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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