[3-[(E)-2-cyano-3-[(9,10-dioxoanthracen-2-yl)amino]-3-oxoprop-1-enyl]phenyl] 4-chlorobenzoate

Formula:C31H17N2O5Cl Mutagenic:high Tumorigenic:none Reproductive Effective:none [3-[(E)-2-cyano-3-[(9,10-dioxoanthracen-2-yl)amino]-3-oxoprop-1-enyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.

MolName	[3-[(E)-2-cyano-3-[(9,10-dioxoanthracen-2-yl)amino]-3-oxoprop-1-enyl]phenyl] 4-chlorobenzoate
MolecularFormula	C31H17N2O5Cl
Smiles	N#C/C(/C(Nc(cc1)cc(C(c2c3cccc2)=O)c1C3=O)=O)=C\c1cccc(OC(c(cc2)ccc2Cl)=O)c1
InChI	InChI=1S/C31H17ClN2O5/c32-21-10-8-19(9-11-21)31(38)39-23-5-3-4-18(15-23)14-20(17-33)30(37)34-22-12-13-26-27(16-22)29(36)25-7-2-1-6-24(25)28(26)35/h1-16H,(H,34,37)
InChIK	ZAJIXURAHFYNGP-UHFFFAOYSA-N
TotalMolweight	532.938
Molweight	532.938
MonoisotopicMass	532.0826
CLogP	6.3986
CLogS	-9.09
H Acceptors	7
H Donors	1
TotalSurfaceArea	393.34
Relative PSA	0.22164
PolarSurfaceArea	113.33
Druglikeness	-1.6212
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	twice activated DB
Shape Index	0.5641
Fragments	1
Non HAtoms	39
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	1
Symmetricatoms	2
Amides	1
StereoCon

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1 - [3-[(E)-2-cyano-3-[(9,10-dioxoanthracen-2-yl)amino]-3-oxoprop-1-enyl]phenyl] 4-chlorobenzoate | 2 - [3-[(E)-2-cyano-3-[(9,10-dioxoanthracen-2-yl)amino]-3-oxoprop-1-enyl]phenyl] 4-chlorobenzoate

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