(E)-2-(4-chlorophenyl)sulfonyl-3-[(9,10-dioxoanthracen-1-yl)amino]prop-2-enenitrile

Formula:C23H13N2O4ClS Mutagenic:low Tumorigenic:none Reproductive Effective:none (E)-2-(4-chlorophenyl)sulfonyl-3-[(9,10-dioxoanthracen-1-yl)amino]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(4-chlorophenyl)sulfonyl-3-[(9,10-dioxoanthracen-1-yl)amino]prop-2-enenitrile
MolecularFormula	C23H13N2O4ClS
Smiles	N#C/C(/S(c(cc1)ccc1Cl)(=O)=O)=C\Nc(cccc1C(c2c3cccc2)=O)c1C3=O
InChI	InChI=1S/C23H13ClN2O4S/c24-14-8-10-15(11-9-14)31(29,30)16(12-25)13-26-20-7-3-6-19-21(20)23(28)18-5-2-1-4-17(18)22(19)27/h1-11,13,26H
InChIK	DQPYHLBJYWGSJY-UHFFFAOYSA-N
TotalMolweight	448.885
Molweight	448.885
MonoisotopicMass	448.028455
CLogP	3.56
CLogS	-8.039
H Acceptors	6
H Donors	1
TotalSurfaceArea	316.66
Relative PSA	0.25163
PolarSurfaceArea	112.48
Druglikeness	-5.3811
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	1
Symmetricatoms	3
StereoCon

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1 - (E)-2-(4-chlorophenyl)sulfonyl-3-[(9,10-dioxoanthracen-1-yl)amino]prop-2-enenitrile | 2 - (E)-2-(4-chlorophenyl)sulfonyl-3-[(9,10-dioxoanthracen-1-yl)amino]prop-2-enenitrile

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