2-[(E)-2-(1-benzylindol-3-yl)ethenyl]-6-iodo-3-(4-nitrophenyl)quinazolin-4-one

Formula:C31H21N4O3I Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-2-(1-benzylindol-3-yl)ethenyl]-6-iodo-3-(4-nitrophenyl)quinazolin-4-one is not a drug-like molecule.

MolName	2-[(E)-2-(1-benzylindol-3-yl)ethenyl]-6-iodo-3-(4-nitrophenyl)quinazolin-4-one
MolecularFormula	C31H21N4O3I
Smiles	[O-][N+](c(cc1)ccc1N(C(/C=C/c1cn(Cc2ccccc2)c2c1cccc2)=Nc(cc1)c2cc1I)C2=O)=O
InChI	InChI=1S/C31H21IN4O3/c32-23-11-16-28-27(18-23)31(37)35(24-12-14-25(15-13-24)36(38)39)30(33-28)17-10-22-20-34(19-21-6-2-1-3-7-21)29-9-5-4-8-26(22)29/h1-18,20H,19H2
InChIK	NJDRTAXKNHAKNM-UHFFFAOYSA-N
TotalMolweight	624.433
Molweight	624.433
MonoisotopicMass	624.065839
CLogP	5.3553
CLogS	-7.512
H Acceptors	7
TotalSurfaceArea	404.07
Relative PSA	0.16183
PolarSurfaceArea	83.42
Druglikeness	-1.4612
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.46154
Fragments	1
Non HAtoms	39
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	2
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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1 - 2-[(E)-2-(1-benzylindol-3-yl)ethenyl]-6-iodo-3-(4-nitrophenyl)quinazolin-4-one | 2 - 2-[(E)-2-(1-benzylindol-3-yl)ethenyl]-6-iodo-3-(4-nitrophenyl)quinazolin-4-one

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