N-[(Z)-1-anthracen-9-yl-3-(3-bromoanilino)-3-oxoprop-1-en-2-yl]benzamide

Formula:C30H21N2O2Br Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-1-anthracen-9-yl-3-(3-bromoanilino)-3-oxoprop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	N-[(Z)-1-anthracen-9-yl-3-(3-bromoanilino)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C30H21N2O2Br
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C/c1c(cccc2)c2cc2ccccc12)Nc1cccc(Br)c1
InChI	InChI=1S/C30H21BrN2O2/c31-23-13-8-14-24(18-23)32-30(35)28(33-29(34)20-9-2-1-3-10-20)19-27-25-15-6-4-11-21(25)17-22-12-5-7-16-26(22)27/h1-19H,(H,32,35)(H,33,34)
InChIK	RWFMWDKIAGGFMK-UHFFFAOYSA-N
TotalMolweight	521.413
Molweight	521.413
MonoisotopicMass	520.078639
CLogP	7.5378
CLogS	-8.919
H Acceptors	4
H Donors	2
TotalSurfaceArea	363.74
Relative PSA	0.13471
PolarSurfaceArea	58.2
Druglikeness	1.2027
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.37143
Fragments	1
Non HAtoms	35
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	26
Symmetricatoms	8
Amides	2
StereoCon

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