2-[(E)-2-(1-benzylindol-3-yl)ethenyl]-3-(4-chlorophenyl)quinazolin-4-one

Formula:C31H22N3OCl Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-2-(1-benzylindol-3-yl)ethenyl]-3-(4-chlorophenyl)quinazolin-4-one is not a drug-like molecule.

MolName	2-[(E)-2-(1-benzylindol-3-yl)ethenyl]-3-(4-chlorophenyl)quinazolin-4-one
MolecularFormula	C31H22N3OCl
Smiles	O=C(c(cccc1)c1N=C1/C=C/c2cn(Cc3ccccc3)c3c2cccc3)N1c(cc1)ccc1Cl
InChI	InChI=1S/C31H22ClN3O/c32-24-15-17-25(18-16-24)35-30(33-28-12-6-4-11-27(28)31(35)36)19-14-23-21-34(20-22-8-2-1-3-9-22)29-13-7-5-10-26(23)29/h1-19,21H,20H2
InChIK	UJTVDXNDOMIGSS-UHFFFAOYSA-N
TotalMolweight	487.989
Molweight	487.989
MonoisotopicMass	487.145139
CLogP	6.4458
CLogS	-6.772
H Acceptors	4
TotalSurfaceArea	369.54
Relative PSA	0.094631
PolarSurfaceArea	37.6
Druglikeness	3.1944
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.47222
Fragments	1
Non HAtoms	36
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	1
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	1
StereoCon

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