2-[(Z)-(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-(4-chlorophenyl)-6-iodoquinazolin-4-one

Formula:C30H19N3O2ClI Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(Z)-(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-(4-chlorophenyl)-6-iodoquinazolin-4-one is not a drug-like molecule.

MolName	2-[(Z)-(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-(4-chlorophenyl)-6-iodoquinazolin-4-one
MolecularFormula	C30H19N3O2ClI
Smiles	O=C1N(Cc2ccccc2)c(cccc2)c2/C1=C/C(N1c(cc2)ccc2Cl)=Nc(ccc(I)c2)c2C1=O
InChI	InChI=1S/C30H19ClIN3O2/c31-20-10-13-22(14-11-20)35-28(33-26-15-12-21(32)16-25(26)30(35)37)17-24-23-8-4-5-9-27(23)34(29(24)36)18-19-6-2-1-3-7-19/h1-17H,18H2
InChIK	IREBNCGXQKMWFK-UHFFFAOYSA-N
TotalMolweight	615.853
Molweight	615.853
MonoisotopicMass	615.021052
CLogP	5.5287
CLogS	-7.726
H Acceptors	5
TotalSurfaceArea	384.78
Relative PSA	0.11614
PolarSurfaceArea	52.98
Druglikeness	4.6955
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.43243
Fragments	1
Non HAtoms	37
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	1
Symmetricatoms	4
Amides	2
StereoCon

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1 - 2-[(Z)-(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-(4-chlorophenyl)-6-iodoquinazolin-4-one | 2 - 2-[(Z)-(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-(4-chlorophenyl)-6-iodoquinazolin-4-one

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